4,5-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-pyrrol-1-yl-thiophene-3-carboxamide

Systemtic Name: 4,5-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-pyrrol-1-yl-thiophene-3-carboxamide Openeye Name: 4,5-dimethyl-N-[1-(2-methylpropanoyl)-4-piperidyl]-2-pyrrol-1-yl-thiophene-3-carboxamide CAS Name: 4,5-dimethyl-N-[1-(2-methyl-1-oxopropyl)-4-piperidinyl]-2-(1-pyrrolyl)-3-thiophenecarboxamide IUPAC Name: 4,5-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-pyrrol-1-ylthiophene-3-carboxamide Traditional Name: N-(1-isobutyryl-4-piperidyl)-4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxamide Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)NC2CCN(CC2)C(=O)C(C)C)N3C=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)NC2CCN(CC2)C(=O)C(C)C)N3C=CC=C3)C

InChI

InChI=1S/C20H27N3O2S/c1-13(2)19(25)22-11-7-16(8-12-22)21-18(24)17-14(3)15(4)26-20(17)23-9-5-6-10-23/h5-6,9-10,13,16H,7-8,11-12H2,1-4H3,(H,21,24)