1-(4-methylpiperazin-1-yl)-2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-en-1-one

Systemtic Name: 1-(4-methylpiperazin-1-yl)-2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-en-1-one Openeye Name: 2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]-1-(4-methylpiperazin-1-yl)prop-2-en-1-one CAS Name: 1-(4-methyl-1-piperazinyl)-2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-2-propen-1-one IUPAC Name: 1-(4-methylpiperazin-1-yl)-2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-en-1-one Traditional Name: 1-(4-methylpiperazino)-2-[3-nitro-4-(o-cumenylthio)phenyl]prop-2-en-1-one Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O3S/c1-16(2)19-7-5-6-8-21(19)30-22-10-9-18(15-20(22)26(28)29)17(3)23(27)25-13-11-24(4)12-14-25/h5-10,15-16H,3,11-14H2,1-2,4H3