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

Systemtic Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-(p-tolyl)piperazine-1-carbothioamide CAS Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-(4-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-(p-tolyl)piperazine-1-carbothioamide Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H25N3O4S2/c1-15-4-6-16(7-5-15)21-20(28)22-10-12-23(13-11-22)29(24,25)17-8-9-18(26-2)19(14-17)27-3/h4-9,14H,10-13H2,1-3H3,(H,21,28)