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

Systemtic Name: 6-methyl-3-nitro-1-(phenylmethyl)-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinolin-2-one Openeye Name: 1-benzyl-6-methyl-3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one CAS Name: 6-methyl-3-nitro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-1-(phenylmethyl)-2-quinolinone IUPAC Name: 1-benzyl-6-methyl-3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinolin-2-one Traditional Name: 1-benzyl-6-methyl-3-nitro-4-[4-(2-thenoyl)piperazino]carbostyril Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(=C2N3CCN(CC3)C(=O)C4=CC=CS4)[N+](=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C(=C2N3CCN(CC3)C(=O)C4=CC=CS4)[N+](=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C26H24N4O4S/c1-18-9-10-21-20(16-18)23(27-11-13-28(14-12-27)25(31)22-8-5-15-35-22)24(30(33)34)26(32)29(21)17-19-6-3-2-4-7-19/h2-10,15-16H,11-14,17H2,1H3