N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[1-(2-methylpropanoyl)-4-piperidyl]-2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[1-(2-methyl-1-oxopropyl)-4-piperidinyl]-2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(1-isobutyryl-4-piperidyl)-2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC(CC1)NC(=O)C2=C(SC3=C2CCCC3)N4C=CC=C4

Isomeric SMILES

CC(C)C(=O)N1CCC(CC1)NC(=O)C2=C(SC3=C2CCCC3)N4C=CC=C4

InChI

InChI=1S/C22H29N3O2S/c1-15(2)21(27)24-13-9-16(10-14-24)23-20(26)19-17-7-3-4-8-18(17)28-22(19)25-11-5-6-12-25/h5-6,11-12,15-16H,3-4,7-10,13-14H2,1-2H3,(H,23,26)