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

Systemtic Name: (E)-1-[3-(hydroxymethyl)piperazin-1-yl]-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-en-1-one Openeye Name: (E)-1-[3-(hydroxymethyl)piperazin-1-yl]-3-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one CAS Name: (E)-1-[3-(hydroxymethyl)-1-piperazinyl]-3-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-2-propen-1-one IUPAC Name: (E)-1-[3-(hydroxymethyl)piperazin-1-yl]-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-en-1-one Traditional Name: (E)-1-(3-methylolpiperazino)-3-[3-nitro-4-(o-cumenylthio)phenyl]prop-2-en-1-one Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C=CC(=O)N3CCNC(C3)CO)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)/C=C/C(=O)N3CCNC(C3)CO)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O4S/c1-16(2)19-5-3-4-6-21(19)31-22-9-7-17(13-20(22)26(29)30)8-10-23(28)25-12-11-24-18(14-25)15-27/h3-10,13,16,18,24,27H,11-12,14-15H2,1-2H3/b10-8+