4-(3,4-dimethylphenyl)sulfonyl-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(3,4-dimethylphenyl)sulfonyl-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(3,4-dimethylphenyl)sulfonyl-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide CAS Name: 4-(3,4-dimethylphenyl)sulfonyl-N-(2-methoxy-4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3,4-dimethylphenyl)sulfonyl-N-(2-methoxy-4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(3,4-dimethylphenyl)sulfonyl-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide Formula: C20H24N4O5S2 MolecularWeight: 464.55836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])OC)C

InChI

InChI=1S/C20H24N4O5S2/c1-14-4-6-17(12-15(14)2)31(27,28)23-10-8-22(9-11-23)20(30)21-18-7-5-16(24(25)26)13-19(18)29-3/h4-7,12-13H,8-11H2,1-3H3,(H,21,30)