N-(5-chloranyl-2-methoxy-phenyl)-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: N-(5-chloro-2-methoxyphenyl)-4-(4-methylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-4-tosyl-piperazine-1-carbothioamide Formula: C19H22ClN3O3S2 MolecularWeight: 439.97928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C19H22ClN3O3S2/c1-14-3-6-16(7-4-14)28(24,25)23-11-9-22(10-12-23)19(27)21-17-13-15(20)5-8-18(17)26-2/h3-8,13H,9-12H2,1-2H3,(H,21,27)