1-(2,2-dimethylpropyl)-3-nitro-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinolin-2-one

Systemtic Name: 1-(2,2-dimethylpropyl)-3-nitro-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinolin-2-one Openeye Name: 1-(2,2-dimethylpropyl)-3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one CAS Name: 1-(2,2-dimethylpropyl)-3-nitro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-2-quinolinone IUPAC Name: 1-(2,2-dimethylpropyl)-3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one Traditional Name: 1-neopentyl-3-nitro-4-[4-(2-thenoyl)piperazino]carbostyril Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC(C)(C)CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C23H26N4O4S/c1-23(2,3)15-26-17-8-5-4-7-16(17)19(20(22(26)29)27(30)31)24-10-12-25(13-11-24)21(28)18-9-6-14-32-18/h4-9,14H,10-13,15H2,1-3H3