cyclopropyl-[4-(4-nitrophenyl)carbonyl-2-piperazin-1-ylcarbonyl-3,5-dithiophen-2-yl-pyrrolidin-1-yl]methanone

Systemtic Name: cyclopropyl-[4-(4-nitrophenyl)carbonyl-2-piperazin-1-ylcarbonyl-3,5-dithiophen-2-yl-pyrrolidin-1-yl]methanone Openeye Name: cyclopropyl-[4-(4-nitrobenzoyl)-2-(piperazine-1-carbonyl)-3,5-bis(2-thienyl)pyrrolidin-1-yl]methanone CAS Name: cyclopropyl-[4-[(4-nitrophenyl)-oxomethyl]-2-[oxo(1-piperazinyl)methyl]-3,5-dithiophen-2-yl-1-pyrrolidinyl]methanone IUPAC Name: cyclopropyl-[4-(4-nitrobenzoyl)-2-(piperazine-1-carbonyl)-3,5-dithiophen-2-ylpyrrolidin-1-yl]methanone Traditional Name: cyclopropyl-[4-(4-nitrobenzoyl)-2-(piperazine-1-carbonyl)-3,5-bis(2-thienyl)pyrrolidino]methanone Formula: C28H28N4O5S2 MolecularWeight: 564.67572

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=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

C1CC1C(=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/C28H28N4O5S2/c33-26(17-7-9-19(10-8-17)32(36)37)23-22(20-3-1-15-38-20)25(28(35)30-13-11-29-12-14-30)31(27(34)18-5-6-18)24(23)21-4-2-16-39-21/h1-4,7-10,15-16,18,22-25,29H,5-6,11-14H2