N-(2-methoxy-5-methyl-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-(2-methoxy-5-methylphenyl)-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O3S/c1-14-3-8-18(26-2)17(13-14)20-19(27)22-11-9-21(10-12-22)15-4-6-16(7-5-15)23(24)25/h3-8,13H,9-12H2,1-2H3,(H,20,27)