1-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)carbonyl-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)carbonyl-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carbonyl)piperidine-4-carboxamide CAS Name: 1-[[4,6-dimethyl-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinyl]-oxomethyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-benzyl-1-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carbonyl)isonipecotamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)N3CCC(CC3)C(=O)NCC4=CC=CC=C4)N5C=CC=C5)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)N3CCC(CC3)C(=O)NCC4=CC=CC=C4)N5C=CC=C5)C

InChI

InChI=1S/C27H28N4O2S/c1-18-16-19(2)29-26-22(18)23(30-12-6-7-13-30)24(34-26)27(33)31-14-10-21(11-15-31)25(32)28-17-20-8-4-3-5-9-20/h3-9,12-13,16,21H,10-11,14-15,17H2,1-2H3,(H,28,32)