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

Systemtic Name: 1-[3-(hydroxymethyl)-4-methyl-piperazin-1-yl]-2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-en-1-one Openeye Name: 1-[3-(hydroxymethyl)-4-methyl-piperazin-1-yl]-2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one CAS Name: 1-[3-(hydroxymethyl)-4-methyl-1-piperazinyl]-2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-2-propen-1-one IUPAC Name: 1-[3-(hydroxymethyl)-4-methylpiperazin-1-yl]-2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-en-1-one Traditional Name: 1-(4-methyl-3-methylol-piperazino)-2-[3-nitro-4-(o-cumenylthio)phenyl]prop-2-en-1-one Formula: C24H29N3O4S MolecularWeight: 455.56976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCN(C(C3)CO)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCN(C(C3)CO)C)[N+](=O)[O-]

InChI

InChI=1S/C24H29N3O4S/c1-16(2)20-7-5-6-8-22(20)32-23-10-9-18(13-21(23)27(30)31)17(3)24(29)26-12-11-25(4)19(14-26)15-28/h5-10,13,16,19,28H,3,11-12,14-15H2,1-2,4H3