N-(4-methylphenyl)-4-(4-nitrophenyl)carbonyl-2-piperazin-1-ylcarbonyl-3,5-dithiophen-2-yl-pyrrolidine-1-carboxamide

Systemtic Name: N-(4-methylphenyl)-4-(4-nitrophenyl)carbonyl-2-piperazin-1-ylcarbonyl-3,5-dithiophen-2-yl-pyrrolidine-1-carboxamide Openeye Name: 4-(4-nitrobenzoyl)-2-(piperazine-1-carbonyl)-N-(p-tolyl)-3,5-bis(2-thienyl)pyrrolidine-1-carboxamide CAS Name: N-(4-methylphenyl)-4-[(4-nitrophenyl)-oxomethyl]-2-[oxo(1-piperazinyl)methyl]-3,5-dithiophen-2-yl-1-pyrrolidinecarboxamide IUPAC Name: N-(4-methylphenyl)-4-(4-nitrobenzoyl)-2-(piperazine-1-carbonyl)-3,5-dithiophen-2-ylpyrrolidine-1-carboxamide Traditional Name: 4-(4-nitrobenzoyl)-2-(piperazine-1-carbonyl)-N-(p-tolyl)-3,5-bis(2-thienyl)pyrrolidine-1-carboxamide Formula: C32H31N5O5S2 MolecularWeight: 629.74904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N2C(C(C(C2C(=O)N3CCNCC3)C4=CC=CS4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CS6

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N2C(C(C(C2C(=O)N3CCNCC3)C4=CC=CS4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CS6

InChI

InChI=1S/C32H31N5O5S2/c1-20-6-10-22(11-7-20)34-32(40)36-28(25-5-3-19-44-25)27(30(38)21-8-12-23(13-9-21)37(41)42)26(24-4-2-18-43-24)29(36)31(39)35-16-14-33-15-17-35/h2-13,18-19,26-29,33H,14-17H2,1H3,(H,34,40)