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

Systemtic Name: N-(4-fluorophenyl)-4-(4-nitrophenyl)carbonyl-2-piperazin-1-ylcarbonyl-3,5-dithiophen-2-yl-pyrrolidine-1-carboxamide Openeye Name: N-(4-fluorophenyl)-4-(4-nitrobenzoyl)-2-(piperazine-1-carbonyl)-3,5-bis(2-thienyl)pyrrolidine-1-carboxamide CAS Name: N-(4-fluorophenyl)-4-[(4-nitrophenyl)-oxomethyl]-2-[oxo(1-piperazinyl)methyl]-3,5-dithiophen-2-yl-1-pyrrolidinecarboxamide IUPAC Name: N-(4-fluorophenyl)-4-(4-nitrobenzoyl)-2-(piperazine-1-carbonyl)-3,5-dithiophen-2-ylpyrrolidine-1-carboxamide Traditional Name: N-(4-fluorophenyl)-4-(4-nitrobenzoyl)-2-(piperazine-1-carbonyl)-3,5-bis(2-thienyl)pyrrolidine-1-carboxamide Formula: C31H28FN5O5S2 MolecularWeight: 633.712923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2C(C(C(N2C(=O)NC3=CC=C(C=C3)F)C4=CC=CS4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CS6

Isomeric SMILES

C1CN(CCN1)C(=O)C2C(C(C(N2C(=O)NC3=CC=C(C=C3)F)C4=CC=CS4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CS6

InChI

InChI=1S/C31H28FN5O5S2/c32-20-7-9-21(10-8-20)34-31(40)36-27(24-4-2-18-44-24)26(29(38)19-5-11-22(12-6-19)37(41)42)25(23-3-1-17-43-23)28(36)30(39)35-15-13-33-14-16-35/h1-12,17-18,25-28,33H,13-16H2,(H,34,40)