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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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