4-(4-methoxyphenyl)sulfonyl-N-[(4-methylphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(4-methoxyphenyl)sulfonyl-N-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(4-methoxyphenyl)sulfonyl-N-(p-tolylmethyl)piperazine-1-carbothioamide CAS Name: 4-(4-methoxyphenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-methoxyphenyl)sulfonyl-N-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(4-methoxyphenyl)sulfonyl-N-(4-methylbenzyl)piperazine-1-carbothioamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S2/c1-16-3-5-17(6-4-16)15-21-20(27)22-11-13-23(14-12-22)28(24,25)19-9-7-18(26-2)8-10-19/h3-10H,11-15H2,1-2H3,(H,21,27)