[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(4-methylsulfanyl-3-nitro-phenyl)methanone

Systemtic Name: [4-[(3-methylphenyl)methyl]piperazin-1-yl]-(4-methylsulfanyl-3-nitro-phenyl)methanone Openeye Name: (4-methylsulfanyl-3-nitro-phenyl)-[4-(m-tolylmethyl)piperazin-1-yl]methanone CAS Name: [4-[(3-methylphenyl)methyl]-1-piperazinyl]-[4-(methylthio)-3-nitrophenyl]methanone IUPAC Name: [4-[(3-methylphenyl)methyl]piperazin-1-yl]-(4-methylsulfanyl-3-nitrophenyl)methanone Traditional Name: [4-(3-methylbenzyl)piperazino]-[4-(methylthio)-3-nitro-phenyl]methanone Formula: C20H23N3O3S MolecularWeight: 385.47992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

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