N-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)carbonyl-3-phenyl-2-piperazin-1-ylcarbonyl-5-thiophen-2-yl-pyrrolidine-1-carboxamide

Systemtic Name: N-(4-methoxyphenyl)-4-(4-methylsulfanylphenyl)carbonyl-3-phenyl-2-piperazin-1-ylcarbonyl-5-thiophen-2-yl-pyrrolidine-1-carboxamide Openeye Name: N-(4-methoxyphenyl)-4-(4-methylsulfanylbenzoyl)-3-phenyl-2-(piperazine-1-carbonyl)-5-(2-thienyl)pyrrolidine-1-carboxamide CAS Name: N-(4-methoxyphenyl)-4-[[4-(methylthio)phenyl]-oxomethyl]-2-[oxo(1-piperazinyl)methyl]-3-phenyl-5-thiophen-2-yl-1-pyrrolidinecarboxamide IUPAC Name: N-(4-methoxyphenyl)-4-(4-methylsulfanylbenzoyl)-3-phenyl-2-(piperazine-1-carbonyl)-5-thiophen-2-ylpyrrolidine-1-carboxamide Traditional Name: N-(4-methoxyphenyl)-4-[4-(methylthio)benzoyl]-3-phenyl-2-(piperazine-1-carbonyl)-5-(2-thienyl)pyrrolidine-1-carboxamide Formula: C35H36N4O4S2 MolecularWeight: 640.81474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)N2C(C(C(C2C(=O)N3CCNCC3)C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)SC)C6=CC=CS6

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N2C(C(C(C2C(=O)N3CCNCC3)C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)SC)C6=CC=CS6

InChI

InChI=1S/C35H36N4O4S2/c1-43-26-14-12-25(13-15-26)37-35(42)39-31(28-9-6-22-45-28)30(33(40)24-10-16-27(44-2)17-11-24)29(23-7-4-3-5-8-23)32(39)34(41)38-20-18-36-19-21-38/h3-17,22,29-32,36H,18-21H2,1-2H3,(H,37,42)