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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=C(C=C3)OC

InChI

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