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

Systemtic Name: 1-[2-(4-methoxyphenyl)-3-(4-methylsulfanylphenyl)carbonyl-4-phenyl-5-piperazin-1-ylcarbonyl-pyrrolidin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[2-(4-methoxyphenyl)-3-(4-methylsulfanylbenzoyl)-4-phenyl-5-(piperazine-1-carbonyl)pyrrolidin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[2-(4-methoxyphenyl)-3-[[4-(methylthio)phenyl]-oxomethyl]-5-[oxo(1-piperazinyl)methyl]-4-phenyl-1-pyrrolidinyl]-3-methyl-1-butanone IUPAC Name: 1-[2-(4-methoxyphenyl)-3-(4-methylsulfanylbenzoyl)-4-phenyl-5-(piperazine-1-carbonyl)pyrrolidin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[2-(4-methoxyphenyl)-3-[4-(methylthio)benzoyl]-4-phenyl-5-(piperazine-1-carbonyl)pyrrolidino]-3-methyl-butan-1-one Formula: C35H41N3O4S MolecularWeight: 599.78274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H41N3O4S/c1-23(2)22-29(39)38-32(25-10-14-27(42-3)15-11-25)31(34(40)26-12-16-28(43-4)17-13-26)30(24-8-6-5-7-9-24)33(38)35(41)37-20-18-36-19-21-37/h5-17,23,30-33,36H,18-22H2,1-4H3