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

Systemtic Name: 4-(4-methylsulfanylphenyl)carbonyl-3-phenyl-2-piperazin-1-ylcarbonyl-N-propan-2-yl-5-thiophen-2-yl-pyrrolidine-1-carboxamide Openeye Name: N-isopropyl-4-(4-methylsulfanylbenzoyl)-3-phenyl-2-(piperazine-1-carbonyl)-5-(2-thienyl)pyrrolidine-1-carboxamide CAS Name: 4-[[4-(methylthio)phenyl]-oxomethyl]-2-[oxo(1-piperazinyl)methyl]-3-phenyl-N-propan-2-yl-5-thiophen-2-yl-1-pyrrolidinecarboxamide IUPAC Name: 4-(4-methylsulfanylbenzoyl)-3-phenyl-2-(piperazine-1-carbonyl)-N-propan-2-yl-5-thiophen-2-ylpyrrolidine-1-carboxamide Traditional Name: N-isopropyl-4-[4-(methylthio)benzoyl]-3-phenyl-2-(piperazine-1-carbonyl)-5-(2-thienyl)pyrrolidine-1-carboxamide Formula: C31H36N4O3S2 MolecularWeight: 576.77254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=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)NC(=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/C31H36N4O3S2/c1-20(2)33-31(38)35-27(24-10-7-19-40-24)26(29(36)22-11-13-23(39-3)14-12-22)25(21-8-5-4-6-9-21)28(35)30(37)34-17-15-32-16-18-34/h4-14,19-20,25-28,32H,15-18H2,1-3H3,(H,33,38)