N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-[2-(4-methoxyphenyl)ethyl]-4-tosyl-piperazine-1-carbothioamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S2/c1-17-3-9-20(10-4-17)29(25,26)24-15-13-23(14-16-24)21(28)22-12-11-18-5-7-19(27-2)8-6-18/h3-10H,11-16H2,1-2H3,(H,22,28)