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

Systemtic Name: 1-(2-methylpropyl)-3-nitro-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinolin-2-one Openeye Name: 1-isobutyl-3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one CAS Name: 1-(2-methylpropyl)-3-nitro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-2-quinolinone IUPAC Name: 1-(2-methylpropyl)-3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one Traditional Name: 1-isobutyl-3-nitro-4-[4-(2-thenoyl)piperazino]carbostyril Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O4S/c1-15(2)14-25-17-7-4-3-6-16(17)19(20(22(25)28)26(29)30)23-9-11-24(12-10-23)21(27)18-8-5-13-31-18/h3-8,13,15H,9-12,14H2,1-2H3