4-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-(o-tolyl)piperazine-1-carbothioamide CAS Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-(2-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3,4-dimethoxyphenyl)sulfonyl-N-(o-tolyl)piperazine-1-carbothioamide Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

InChI

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