(E)-1-(4-ethanoyl-3,5-dimethyl-piperazin-1-yl)-3-(3-nitro-4-sulfanyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(4-ethanoyl-3,5-dimethyl-piperazin-1-yl)-3-(3-nitro-4-sulfanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(4-acetyl-3,5-dimethyl-piperazin-1-yl)-3-(3-nitro-4-sulfanyl-phenyl)prop-2-en-1-one CAS Name: (E)-1-(4-acetyl-3,5-dimethyl-1-piperazinyl)-3-(4-mercapto-3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-(4-acetyl-3,5-dimethylpiperazin-1-yl)-3-(3-nitro-4-sulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-acetyl-3,5-dimethyl-piperazino)-3-(4-mercapto-3-nitro-phenyl)prop-2-en-1-one Formula: C17H21N3O4S MolecularWeight: 363.43134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C(=O)C)C)C(=O)C=CC2=CC(=C(C=C2)S)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CC(N1C(=O)C)C)C(=O)/C=C/C2=CC(=C(C=C2)S)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O4S/c1-11-9-18(10-12(2)19(11)13(3)21)17(22)7-5-14-4-6-16(25)15(8-14)20(23)24/h4-8,11-12,25H,9-10H2,1-3H3/b7-5+