N-(2,4-dimethoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-(2,4-dimethoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-(2,4-dimethoxyphenyl)-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2,4-dimethoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-(2,4-dimethoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C19H22N4O4S MolecularWeight: 402.46738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H22N4O4S/c1-26-16-7-8-17(18(13-16)27-2)20-19(28)22-11-9-21(10-12-22)14-3-5-15(6-4-14)23(24)25/h3-8,13H,9-12H2,1-2H3,(H,20,28)