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

Systemtic Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-(3-nitrophenyl)piperazine-1-carbothioamide Openeye Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-(3-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-(3-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-(3-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-(3-nitrophenyl)piperazine-1-carbothioamide Formula: C19H22N4O6S2 MolecularWeight: 466.53118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H22N4O6S2/c1-28-17-7-6-16(13-18(17)29-2)31(26,27)22-10-8-21(9-11-22)19(30)20-14-4-3-5-15(12-14)23(24)25/h3-7,12-13H,8-11H2,1-2H3,(H,20,30)