ISDA: 9LWE

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1EMA

IUPAC Name: 8H-Thieno[2,3-b]indole-2-carboxamide

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: c1ccc2c(c1)[nH]c1sccc12

InChI: InChI=1S/C10H7NS/c1-2-4-9-7(3-1)8-5-6-12-10(8)11-9/h1-6,11H

InChI Key: FFRYBJUZUCTFGC-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C11 H8 N2 O S

Molecular weight: 216.259

Hydrogen Bond Acceptor: 2

Hydrogen Bond Donor: 2

Rotatable Bonds: 1

Heavy Atoms: 15

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	4~{H}-thieno[2,3-b]indole-2-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C11H8N2OS/c12-10(14)9-5-7-6-3-1-2-4-8(6)13-11(7)15-9/h1-5,13H,(H2,12,14)
InChIKey	InChI	1.06	LWYQSXZALURFMK-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	NC(=O)c1sc2[nH]c3ccccc3c2c1
SMILES	CACTVS	3.385	NC(=O)c1sc2[nH]c3ccccc3c2c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)c3cc(sc3[nH]2)C(=O)N
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)c3cc(sc3[nH]2)C(=O)N