N-(2-methoxy-4-nitro-phenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2-methoxy-4-nitrophenyl)-4-(4-methoxyphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C19H22N4O6S2 MolecularWeight: 466.53118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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