1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone Openeye Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone CAS Name: 1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-[(4-nitrophenyl)thio]ethanone IUPAC Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanylethanone Traditional Name: 1-[4-(2,3-dimethylphenyl)piperazino]-2-[(4-nitrophenyl)thio]ethanone Formula: C20H23N3O3S MolecularWeight: 385.47992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N3O3S/c1-15-4-3-5-19(16(15)2)21-10-12-22(13-11-21)20(24)14-27-18-8-6-17(7-9-18)23(25)26/h3-9H,10-14H2,1-2H3