2-methoxy-1-[2-(4-methylphenyl)-3-(4-methylsulfanylphenyl)carbonyl-4-phenyl-5-piperazin-1-ylcarbonyl-pyrrolidin-1-yl]ethanone

Systemtic Name: 2-methoxy-1-[2-(4-methylphenyl)-3-(4-methylsulfanylphenyl)carbonyl-4-phenyl-5-piperazin-1-ylcarbonyl-pyrrolidin-1-yl]ethanone Openeye Name: 2-methoxy-1-[4-(4-methylsulfanylbenzoyl)-3-phenyl-2-(piperazine-1-carbonyl)-5-(p-tolyl)pyrrolidin-1-yl]ethanone CAS Name: 2-methoxy-1-[2-(4-methylphenyl)-3-[[4-(methylthio)phenyl]-oxomethyl]-5-[oxo(1-piperazinyl)methyl]-4-phenyl-1-pyrrolidinyl]ethanone IUPAC Name: 2-methoxy-1-[2-(4-methylphenyl)-3-(4-methylsulfanylbenzoyl)-4-phenyl-5-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone Traditional Name: 2-methoxy-1-[4-[4-(methylthio)benzoyl]-3-phenyl-2-(piperazine-1-carbonyl)-5-(p-tolyl)pyrrolidino]ethanone Formula: C33H37N3O4S MolecularWeight: 571.72958

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H37N3O4S/c1-22-9-11-24(12-10-22)30-29(32(38)25-13-15-26(41-3)16-14-25)28(23-7-5-4-6-8-23)31(36(30)27(37)21-40-2)33(39)35-19-17-34-18-20-35/h4-16,28-31,34H,17-21H2,1-3H3