N-(4-azanylcyclohexyl)-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-aminocyclohexyl)-4-[cyclopropyl-[(4-nitrophenyl)methyl]amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminocyclohexyl)-4-[cyclopropyl-(4-nitrobenzyl)amino]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C26H33N5O4S MolecularWeight: 511.63632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2CC(CN2C(=O)C3=CC=CS3)N(CC4=CC=C(C=C4)[N+](=O)[O-])C5CC5

Isomeric SMILES

C1CC(CCC1N)NC(=O)C2CC(CN2C(=O)C3=CC=CS3)N(CC4=CC=C(C=C4)[N+](=O)[O-])C5CC5

InChI

InChI=1S/C26H33N5O4S/c27-18-5-7-19(8-6-18)28-25(32)23-14-22(16-30(23)26(33)24-2-1-13-36-24)29(20-11-12-20)15-17-3-9-21(10-4-17)31(34)35/h1-4,9-10,13,18-20,22-23H,5-8,11-12,14-16,27H2,(H,28,32)