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

Systemtic Name: 3-nitro-1-(phenylmethyl)-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinolin-2-one Openeye Name: 1-benzyl-3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one CAS Name: 3-nitro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-1-(phenylmethyl)-2-quinolinone IUPAC Name: 1-benzyl-3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one Traditional Name: 1-benzyl-3-nitro-4-[4-(2-thenoyl)piperazino]carbostyril Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(C3=CC=CC=C32)CC4=CC=CC=C4)[N+](=O)[O-])C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(C3=CC=CC=C32)CC4=CC=CC=C4)[N+](=O)[O-])C(=O)C5=CC=CS5

InChI

InChI=1S/C25H22N4O4S/c30-24(21-11-6-16-34-21)27-14-12-26(13-15-27)22-19-9-4-5-10-20(19)28(25(31)23(22)29(32)33)17-18-7-2-1-3-8-18/h1-11,16H,12-15,17H2