3-methyl-1-[2-(4-methylphenyl)-3-(4-methylsulfanylphenyl)carbonyl-4-phenyl-5-piperazin-1-ylcarbonyl-pyrrolidin-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[2-(4-methylphenyl)-3-(4-methylsulfanylphenyl)carbonyl-4-phenyl-5-piperazin-1-ylcarbonyl-pyrrolidin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-(4-methylsulfanylbenzoyl)-3-phenyl-2-(piperazine-1-carbonyl)-5-(p-tolyl)pyrrolidin-1-yl]butan-1-one CAS Name: 3-methyl-1-[2-(4-methylphenyl)-3-[[4-(methylthio)phenyl]-oxomethyl]-5-[oxo(1-piperazinyl)methyl]-4-phenyl-1-pyrrolidinyl]-1-butanone IUPAC Name: 3-methyl-1-[2-(4-methylphenyl)-3-(4-methylsulfanylbenzoyl)-4-phenyl-5-(piperazine-1-carbonyl)pyrrolidin-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-[4-(methylthio)benzoyl]-3-phenyl-2-(piperazine-1-carbonyl)-5-(p-tolyl)pyrrolidino]butan-1-one Formula: C35H41N3O3S MolecularWeight: 583.78334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(C(N2C(=O)CC(C)C)C(=O)N3CCNCC3)C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)SC

Isomeric SMILES

CC1=CC=C(C=C1)C2C(C(C(N2C(=O)CC(C)C)C(=O)N3CCNCC3)C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)SC

InChI

InChI=1S/C35H41N3O3S/c1-23(2)22-29(39)38-32(26-12-10-24(3)11-13-26)31(34(40)27-14-16-28(42-4)17-15-27)30(25-8-6-5-7-9-25)33(38)35(41)37-20-18-36-19-21-37/h5-17,23,30-33,36H,18-22H2,1-4H3