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

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(5-oxidanylidene-1-phenyl-pyrrolidin-3-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(5-oxo-1-phenyl-pyrrolidine-3-carbonyl)piperidine-4-carboxamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-[oxo-(5-oxo-1-phenyl-3-pyrrolidinyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide Traditional Name: 1-(5-keto-1-phenyl-pyrrolidine-3-carbonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]isonipecotamide Formula: C31H30N4O3S MolecularWeight: 538.6599

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4CCN(CC4)C(=O)C5CC(=O)N(C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4CCN(CC4)C(=O)C5CC(=O)N(C5)C6=CC=CC=C6

InChI

InChI=1S/C31H30N4O3S/c1-20-7-12-26-27(17-20)39-30(33-26)22-8-10-24(11-9-22)32-29(37)21-13-15-34(16-14-21)31(38)23-18-28(36)35(19-23)25-5-3-2-4-6-25/h2-12,17,21,23H,13-16,18-19H2,1H3,(H,32,37)