4-(4-ethoxyphenyl)sulfonyl-N-(2-methylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-ethoxyphenyl)sulfonyl-N-(2-methylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-ethoxyphenyl)sulfonyl-N-(o-tolyl)piperazine-1-carbothioamide CAS Name: 4-(4-ethoxyphenyl)sulfonyl-N-(2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-ethoxyphenyl)sulfonyl-N-(2-methylphenyl)piperazine-1-carbothioamide Traditional Name: N-(o-tolyl)-4-p-phenetylsulfonyl-piperazine-1-carbothioamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC=C3C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC=C3C

InChI

InChI=1S/C20H25N3O3S2/c1-3-26-17-8-10-18(11-9-17)28(24,25)23-14-12-22(13-15-23)20(27)21-19-7-5-4-6-16(19)2/h4-11H,3,12-15H2,1-2H3,(H,21,27)