4-[(2-methylphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(2-methylphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-(3-nitrophenyl)-4-(o-tolylmethyl)piperazine-1-carbothioamide CAS Name: 4-[(2-methylphenyl)methyl]-N-(3-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(2-methylphenyl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-methylbenzyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

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