N-(2-methoxy-5-methyl-phenyl)-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2-methoxy-5-methylphenyl)-4-(4-nitrophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-4-nosyl-piperazine-1-carbothioamide Formula: C19H22N4O5S2 MolecularWeight: 450.53178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O5S2/c1-14-3-8-18(28-2)17(13-14)20-19(29)21-9-11-22(12-10-21)30(26,27)16-6-4-15(5-7-16)23(24)25/h3-8,13H,9-12H2,1-2H3,(H,20,29)