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

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: N-(2-methoxy-4-nitrophenyl)-4-(4-methylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)-4-tosyl-piperazine-1-carbothioamide Formula: C19H22N4O5S2 MolecularWeight: 450.53178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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