4-(4-tert-butylphenyl)-N-ethyl-2-(3-nitrophenyl)-5-piperazin-1-ylcarbonyl-3-thiophen-2-ylcarbonyl-pyrrolidine-1-carboxamide

Systemtic Name: 4-(4-tert-butylphenyl)-N-ethyl-2-(3-nitrophenyl)-5-piperazin-1-ylcarbonyl-3-thiophen-2-ylcarbonyl-pyrrolidine-1-carboxamide Openeye Name: 4-(4-tert-butylphenyl)-N-ethyl-2-(3-nitrophenyl)-5-(piperazine-1-carbonyl)-3-(thiophene-2-carbonyl)pyrrolidine-1-carboxamide CAS Name: 4-(4-tert-butylphenyl)-N-ethyl-2-(3-nitrophenyl)-5-[oxo(1-piperazinyl)methyl]-3-[oxo(thiophen-2-yl)methyl]-1-pyrrolidinecarboxamide IUPAC Name: 4-(4-tert-butylphenyl)-N-ethyl-2-(3-nitrophenyl)-5-(piperazine-1-carbonyl)-3-(thiophene-2-carbonyl)pyrrolidine-1-carboxamide Traditional Name: 4-(4-tert-butylphenyl)-N-ethyl-2-(3-nitrophenyl)-5-(piperazine-1-carbonyl)-3-(2-thenoyl)pyrrolidine-1-carboxamide Formula: C33H39N5O5S MolecularWeight: 617.75826

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=C(C=C3)C(C)(C)C)C(=O)C4=CC=CS4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=C(C=C3)C(C)(C)C)C(=O)C4=CC=CS4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C33H39N5O5S/c1-5-35-32(41)37-28(22-8-6-9-24(20-22)38(42)43)27(30(39)25-10-7-19-44-25)26(21-11-13-23(14-12-21)33(2,3)4)29(37)31(40)36-17-15-34-16-18-36/h6-14,19-20,26-29,34H,5,15-18H2,1-4H3,(H,35,41)