4-(4-acetamidophenyl)-2-(4-chlorophenyl)-3-(2,5-dimethylthiophen-3-yl)carbonyl-N-ethyl-5-piperazin-1-ylcarbonyl-pyrrolidine-1-carboxamide

Systemtic Name: 4-(4-acetamidophenyl)-2-(4-chlorophenyl)-3-(2,5-dimethylthiophen-3-yl)carbonyl-N-ethyl-5-piperazin-1-ylcarbonyl-pyrrolidine-1-carboxamide Openeye Name: 4-(4-acetamidophenyl)-2-(4-chlorophenyl)-3-(2,5-dimethylthiophene-3-carbonyl)-N-ethyl-5-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide CAS Name: 4-(4-acetamidophenyl)-2-(4-chlorophenyl)-3-[(2,5-dimethyl-3-thiophenyl)-oxomethyl]-N-ethyl-5-[oxo(1-piperazinyl)methyl]-1-pyrrolidinecarboxamide IUPAC Name: 4-(4-acetamidophenyl)-2-(4-chlorophenyl)-3-(2,5-dimethylthiophene-3-carbonyl)-N-ethyl-5-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide Traditional Name: 4-(4-acetamidophenyl)-2-(4-chlorophenyl)-3-(2,5-dimethylthiophene-3-carbonyl)-N-ethyl-5-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide Formula: C33H38ClN5O4S MolecularWeight: 636.20392

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=C(C=C3)NC(=O)C)C(=O)C4=C(SC(=C4)C)C)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCNC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=C(C=C3)NC(=O)C)C(=O)C4=C(SC(=C4)C)C)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C33H38ClN5O4S/c1-5-36-33(43)39-29(23-6-10-24(34)11-7-23)28(31(41)26-18-19(2)44-20(26)3)27(22-8-12-25(13-9-22)37-21(4)40)30(39)32(42)38-16-14-35-15-17-38/h6-13,18,27-30,35H,5,14-17H2,1-4H3,(H,36,43)(H,37,40)