4,6-dimethyl-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-4-yl]-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxamide

Systemtic Name: 4,6-dimethyl-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-4-yl]-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)-4-piperidyl]-4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidinyl]-4,6-dimethyl-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinecarboxamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)-4-piperidyl]-4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridine-2-carboxamide Formula: C27H29N5O2S MolecularWeight: 487.61646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)NC3CCN(CC3)CC(=O)NC4=CC=CC=C4)N5C=CC=C5)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)NC3CCN(CC3)CC(=O)NC4=CC=CC=C4)N5C=CC=C5)C

InChI

InChI=1S/C27H29N5O2S/c1-18-16-19(2)28-27-23(18)24(32-12-6-7-13-32)25(35-27)26(34)30-21-10-14-31(15-11-21)17-22(33)29-20-8-4-3-5-9-20/h3-9,12-13,16,21H,10-11,14-15,17H2,1-2H3,(H,29,33)(H,30,34)