3-methyl-1-[4-(4-nitrophenyl)carbonyl-2-piperazin-1-ylcarbonyl-3,5-dithiophen-2-yl-pyrrolidin-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[4-(4-nitrophenyl)carbonyl-2-piperazin-1-ylcarbonyl-3,5-dithiophen-2-yl-pyrrolidin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-(4-nitrobenzoyl)-2-(piperazine-1-carbonyl)-3,5-bis(2-thienyl)pyrrolidin-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-[(4-nitrophenyl)-oxomethyl]-2-[oxo(1-piperazinyl)methyl]-3,5-dithiophen-2-yl-1-pyrrolidinyl]-1-butanone IUPAC Name: 3-methyl-1-[4-(4-nitrobenzoyl)-2-(piperazine-1-carbonyl)-3,5-dithiophen-2-ylpyrrolidin-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-(4-nitrobenzoyl)-2-(piperazine-1-carbonyl)-3,5-bis(2-thienyl)pyrrolidino]butan-1-one Formula: C29H32N4O5S2 MolecularWeight: 580.71818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=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)CC(=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/C29H32N4O5S2/c1-18(2)17-23(34)32-26(22-6-4-16-40-22)25(28(35)19-7-9-20(10-8-19)33(37)38)24(21-5-3-15-39-21)27(32)29(36)31-13-11-30-12-14-31/h3-10,15-16,18,24-27,30H,11-14,17H2,1-2H3