N-(3,5-dimethoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-(3,5-dimethoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-(3,5-dimethoxyphenyl)-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(3,5-dimethoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-(3,5-dimethoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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