4-[(4-methylphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(4-methylphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-(3-nitrophenyl)-4-(p-tolylmethyl)piperazine-1-carbothioamide CAS Name: 4-[(4-methylphenyl)methyl]-N-(3-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(4-methylphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-methylbenzyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide Formula: C19H22N4O2S MolecularWeight: 370.46858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O2S/c1-15-5-7-16(8-6-15)14-21-9-11-22(12-10-21)19(26)20-17-3-2-4-18(13-17)23(24)25/h2-8,13H,9-12,14H2,1H3,(H,20,26)