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

Systemtic Name: 6-chloranyl-1-[(4-methylphenyl)methyl]-3-nitro-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinolin-2-one Openeye Name: 6-chloro-3-nitro-1-(p-tolylmethyl)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one CAS Name: 6-chloro-1-[(4-methylphenyl)methyl]-3-nitro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-2-quinolinone IUPAC Name: 6-chloro-1-[(4-methylphenyl)methyl]-3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one Traditional Name: 6-chloro-1-(4-methylbenzyl)-3-nitro-4-[4-(2-thenoyl)piperazino]carbostyril Formula: C26H23ClN4O4S MolecularWeight: 523.00322

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H23ClN4O4S/c1-17-4-6-18(7-5-17)16-30-21-9-8-19(27)15-20(21)23(24(26(30)33)31(34)35)28-10-12-29(13-11-28)25(32)22-3-2-14-36-22/h2-9,14-15H,10-13,16H2,1H3