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

Systemtic Name: N-(4-methoxyphenyl)-4-(4-nitrophenyl)carbonyl-2-piperazin-1-ylcarbonyl-3,5-dithiophen-2-yl-pyrrolidine-1-carboxamide Openeye Name: N-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-2-(piperazine-1-carbonyl)-3,5-bis(2-thienyl)pyrrolidine-1-carboxamide CAS Name: N-(4-methoxyphenyl)-4-[(4-nitrophenyl)-oxomethyl]-2-[oxo(1-piperazinyl)methyl]-3,5-dithiophen-2-yl-1-pyrrolidinecarboxamide IUPAC Name: N-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-2-(piperazine-1-carbonyl)-3,5-dithiophen-2-ylpyrrolidine-1-carboxamide Traditional Name: N-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-2-(piperazine-1-carbonyl)-3,5-bis(2-thienyl)pyrrolidine-1-carboxamide Formula: C32H31N5O6S2 MolecularWeight: 645.74844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C32H31N5O6S2/c1-43-23-12-8-21(9-13-23)34-32(40)36-28(25-5-3-19-45-25)27(30(38)20-6-10-22(11-7-20)37(41)42)26(24-4-2-18-44-24)29(36)31(39)35-16-14-33-15-17-35/h2-13,18-19,26-29,33H,14-17H2,1H3,(H,34,40)