6-methyl-1-[(4-methylphenyl)methyl]-3-nitro-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinolin-2-one

Systemtic Name: 6-methyl-1-[(4-methylphenyl)methyl]-3-nitro-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinolin-2-one Openeye Name: 6-methyl-3-nitro-1-(p-tolylmethyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one CAS Name: 6-methyl-1-[(4-methylphenyl)methyl]-3-nitro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-2-quinolinone IUPAC Name: 6-methyl-1-[(4-methylphenyl)methyl]-3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one Traditional Name: 6-methyl-1-(4-methylbenzyl)-3-nitro-4-[4-(2-thenoyl)piperazino]carbostyril Formula: C27H26N4O4S MolecularWeight: 502.58474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C)C(=C(C2=O)[N+](=O)[O-])N4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C)C(=C(C2=O)[N+](=O)[O-])N4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C27H26N4O4S/c1-18-5-8-20(9-6-18)17-30-22-10-7-19(2)16-21(22)24(25(27(30)33)31(34)35)28-11-13-29(14-12-28)26(32)23-4-3-15-36-23/h3-10,15-16H,11-14,17H2,1-2H3