2-(4-methylphenyl)-3-(4-methylsulfanylphenyl)carbonyl-4-phenyl-5-piperazin-1-ylcarbonyl-N-propyl-pyrrolidine-1-carboxamide

Systemtic Name: 2-(4-methylphenyl)-3-(4-methylsulfanylphenyl)carbonyl-4-phenyl-5-piperazin-1-ylcarbonyl-N-propyl-pyrrolidine-1-carboxamide Openeye Name: 4-(4-methylsulfanylbenzoyl)-3-phenyl-2-(piperazine-1-carbonyl)-N-propyl-5-(p-tolyl)pyrrolidine-1-carboxamide CAS Name: 2-(4-methylphenyl)-3-[[4-(methylthio)phenyl]-oxomethyl]-5-[oxo(1-piperazinyl)methyl]-4-phenyl-N-propyl-1-pyrrolidinecarboxamide IUPAC Name: 2-(4-methylphenyl)-3-(4-methylsulfanylbenzoyl)-4-phenyl-5-(piperazine-1-carbonyl)-N-propylpyrrolidine-1-carboxamide Traditional Name: 4-[4-(methylthio)benzoyl]-3-phenyl-2-(piperazine-1-carbonyl)-N-propyl-5-(p-tolyl)pyrrolidine-1-carboxamide Formula: C34H40N4O3S MolecularWeight: 584.7714

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)SC)C5=CC=C(C=C5)C

Isomeric SMILES

CCCNC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)SC)C5=CC=C(C=C5)C

InChI

InChI=1S/C34H40N4O3S/c1-4-18-36-34(41)38-30(25-12-10-23(2)11-13-25)29(32(39)26-14-16-27(42-3)17-15-26)28(24-8-6-5-7-9-24)31(38)33(40)37-21-19-35-20-22-37/h5-17,28-31,35H,4,18-22H2,1-3H3,(H,36,41)