N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-[1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-[1-(4-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonyl-piperidine-4-carboxamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-[5-oxo-1-(p-tolyl)pyrrolidine-3-carbonyl]piperidine-4-carboxamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-[[1-(4-methylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[5-keto-1-(p-tolyl)pyrrolidine-3-carbonyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]isonipecotamide Formula: C32H32N4O3S MolecularWeight: 552.68648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C5=NC6=C(S5)C=C(C=C6)C

Isomeric SMILES

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C5=NC6=C(S5)C=C(C=C6)C

InChI

InChI=1S/C32H32N4O3S/c1-20-3-10-26(11-4-20)36-19-24(18-29(36)37)32(39)35-15-13-22(14-16-35)30(38)33-25-8-6-23(7-9-25)31-34-27-12-5-21(2)17-28(27)40-31/h3-12,17,22,24H,13-16,18-19H2,1-2H3,(H,33,38)