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

Systemtic Name: 3-methyl-1-[4-(4-methylsulfanylphenyl)carbonyl-3-phenyl-2-piperazin-1-ylcarbonyl-5-thiophen-2-yl-pyrrolidin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-(4-methylsulfanylbenzoyl)-3-phenyl-2-(piperazine-1-carbonyl)-5-(2-thienyl)pyrrolidin-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-[[4-(methylthio)phenyl]-oxomethyl]-2-[oxo(1-piperazinyl)methyl]-3-phenyl-5-thiophen-2-yl-1-pyrrolidinyl]-1-butanone IUPAC Name: 3-methyl-1-[4-(4-methylsulfanylbenzoyl)-3-phenyl-2-(piperazine-1-carbonyl)-5-thiophen-2-ylpyrrolidin-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-[4-(methylthio)benzoyl]-3-phenyl-2-(piperazine-1-carbonyl)-5-(2-thienyl)pyrrolidino]butan-1-one Formula: C32H37N3O3S2 MolecularWeight: 575.78448

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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=CS5

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=CS5

InChI

InChI=1S/C32H37N3O3S2/c1-21(2)20-26(36)35-29(25-10-7-19-40-25)28(31(37)23-11-13-24(39-3)14-12-23)27(22-8-5-4-6-9-22)30(35)32(38)34-17-15-33-16-18-34/h4-14,19,21,27-30,33H,15-18,20H2,1-3H3