4-(4-ethoxyphenyl)sulfonyl-N-(3-methylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-ethoxyphenyl)sulfonyl-N-(3-methylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-ethoxyphenyl)sulfonyl-N-(m-tolyl)piperazine-1-carbothioamide CAS Name: 4-(4-ethoxyphenyl)sulfonyl-N-(3-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-ethoxyphenyl)sulfonyl-N-(3-methylphenyl)piperazine-1-carbothioamide Traditional Name: N-(m-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(=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC(=C3)C

InChI

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