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

Systemtic Name: 4-(4-nitrophenyl)carbonyl-2-piperazin-1-ylcarbonyl-N-propan-2-yl-3,5-dithiophen-2-yl-pyrrolidine-1-carboxamide Openeye Name: N-isopropyl-4-(4-nitrobenzoyl)-2-(piperazine-1-carbonyl)-3,5-bis(2-thienyl)pyrrolidine-1-carboxamide CAS Name: 4-[(4-nitrophenyl)-oxomethyl]-2-[oxo(1-piperazinyl)methyl]-N-propan-2-yl-3,5-dithiophen-2-yl-1-pyrrolidinecarboxamide IUPAC Name: 4-(4-nitrobenzoyl)-2-(piperazine-1-carbonyl)-N-propan-2-yl-3,5-dithiophen-2-ylpyrrolidine-1-carboxamide Traditional Name: N-isopropyl-4-(4-nitrobenzoyl)-2-(piperazine-1-carbonyl)-3,5-bis(2-thienyl)pyrrolidine-1-carboxamide Formula: C28H31N5O5S2 MolecularWeight: 581.70624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=CS3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CS5

Isomeric SMILES

CC(C)NC(=O)N1C(C(C(C1C(=O)N2CCNCC2)C3=CC=CS3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CS5

InChI

InChI=1S/C28H31N5O5S2/c1-17(2)30-28(36)32-24(21-6-4-16-40-21)23(26(34)18-7-9-19(10-8-18)33(37)38)22(20-5-3-15-39-20)25(32)27(35)31-13-11-29-12-14-31/h3-10,15-17,22-25,29H,11-14H2,1-2H3,(H,30,36)