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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-homoveratryl-4-tosyl-piperazine-1-carbothioamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H29N3O4S2/c1-17-4-7-19(8-5-17)31(26,27)25-14-12-24(13-15-25)22(30)23-11-10-18-6-9-20(28-2)21(16-18)29-3/h4-9,16H,10-15H2,1-3H3,(H,23,30)