N-[[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[1-[2-(azepan-1-yl)-2-oxo-ethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[1-[2-(1-azepanyl)-2-oxoethyl]-2-benzimidazolyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[1-[2-(azepan-1-yl)-2-keto-ethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2CNC(=O)C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2CNC(=O)C4=CC=CS4

InChI

InChI=1S/C21H24N4O2S/c26-20(24-11-5-1-2-6-12-24)15-25-17-9-4-3-8-16(17)23-19(25)14-22-21(27)18-10-7-13-28-18/h3-4,7-10,13H,1-2,5-6,11-12,14-15H2,(H,22,27)