N-[2-(azepan-1-yl)ethyl]-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxamide Formula: C20H24N4OS MolecularWeight: 368.49576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNC(=O)C2=C(C3=C(S2)N=CC=C3)N4C=CC=C4

Isomeric SMILES

C1CCCN(CC1)CCNC(=O)C2=C(C3=C(S2)N=CC=C3)N4C=CC=C4

InChI

InChI=1S/C20H24N4OS/c25-19(21-10-15-23-11-3-1-2-4-12-23)18-17(24-13-5-6-14-24)16-8-7-9-22-20(16)26-18/h5-9,13-14H,1-4,10-12,15H2,(H,21,25)