[2-(4-methylphenyl)-4-phenyl-1-(phenylcarbonyl)-5-piperazin-1-ylcarbonyl-pyrrolidin-3-yl]-(4-methylsulfanylphenyl)methanone

Systemtic Name: [2-(4-methylphenyl)-4-phenyl-1-(phenylcarbonyl)-5-piperazin-1-ylcarbonyl-pyrrolidin-3-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [1-benzoyl-4-phenyl-5-(piperazine-1-carbonyl)-2-(p-tolyl)pyrrolidin-3-yl]-(4-methylsulfanylphenyl)methanone CAS Name: [1-benzoyl-2-(4-methylphenyl)-5-[oxo(1-piperazinyl)methyl]-4-phenyl-3-pyrrolidinyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [1-benzoyl-2-(4-methylphenyl)-4-phenyl-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [1-benzoyl-4-phenyl-5-(piperazine-1-carbonyl)-2-(p-tolyl)pyrrolidin-3-yl]-[4-(methylthio)phenyl]methanone Formula: C37H37N3O3S MolecularWeight: 603.77298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(C(N2C(=O)C3=CC=CC=C3)C(=O)N4CCNCC4)C5=CC=CC=C5)C(=O)C6=CC=C(C=C6)SC

Isomeric SMILES

CC1=CC=C(C=C1)C2C(C(C(N2C(=O)C3=CC=CC=C3)C(=O)N4CCNCC4)C5=CC=CC=C5)C(=O)C6=CC=C(C=C6)SC

InChI

InChI=1S/C37H37N3O3S/c1-25-13-15-27(16-14-25)33-32(35(41)28-17-19-30(44-2)20-18-28)31(26-9-5-3-6-10-26)34(37(43)39-23-21-38-22-24-39)40(33)36(42)29-11-7-4-8-12-29/h3-20,31-34,38H,21-24H2,1-2H3