1-(3,5-dimethylpiperazin-1-yl)-2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-en-1-one

Systemtic Name: 1-(3,5-dimethylpiperazin-1-yl)-2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-en-1-one Openeye Name: 1-(3,5-dimethylpiperazin-1-yl)-2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one CAS Name: 1-(3,5-dimethyl-1-piperazinyl)-2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-2-propen-1-one IUPAC Name: 1-(3,5-dimethylpiperazin-1-yl)-2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-en-1-one Traditional Name: 1-(3,5-dimethylpiperazino)-2-[3-nitro-4-(o-cumenylthio)phenyl]prop-2-en-1-one Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC=C3C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CC(N1)C)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC=C3C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C24H29N3O3S/c1-15(2)20-8-6-7-9-22(20)31-23-11-10-19(12-21(23)27(29)30)18(5)24(28)26-13-16(3)25-17(4)14-26/h6-12,15-17,25H,5,13-14H2,1-4H3