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

Systemtic Name: 4-(4-nitrophenyl)carbonyl-N-phenyl-2-piperazin-1-ylcarbonyl-3,5-dithiophen-2-yl-pyrrolidine-1-carboxamide Openeye Name: 4-(4-nitrobenzoyl)-N-phenyl-2-(piperazine-1-carbonyl)-3,5-bis(2-thienyl)pyrrolidine-1-carboxamide CAS Name: 4-[(4-nitrophenyl)-oxomethyl]-2-[oxo(1-piperazinyl)methyl]-N-phenyl-3,5-dithiophen-2-yl-1-pyrrolidinecarboxamide IUPAC Name: 4-(4-nitrobenzoyl)-N-phenyl-2-(piperazine-1-carbonyl)-3,5-dithiophen-2-ylpyrrolidine-1-carboxamide Traditional Name: 4-(4-nitrobenzoyl)-N-phenyl-2-(piperazine-1-carbonyl)-3,5-bis(2-thienyl)pyrrolidine-1-carboxamide Formula: C31H29N5O5S2 MolecularWeight: 615.72246

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H29N5O5S2/c37-29(20-10-12-22(13-11-20)36(40)41)26-25(23-8-4-18-42-23)28(30(38)34-16-14-32-15-17-34)35(27(26)24-9-5-19-43-24)31(39)33-21-6-2-1-3-7-21/h1-13,18-19,25-28,32H,14-17H2,(H,33,39)