N-(3-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-(m-tolyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-(3-methylphenyl)-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-(m-tolyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O2S/c1-14-3-2-4-15(13-14)19-18(25)21-11-9-20(10-12-21)16-5-7-17(8-6-16)22(23)24/h2-8,13H,9-12H2,1H3,(H,19,25)