4-(4-chlorophenyl)sulfonyl-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-chlorophenyl)sulfonyl-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-chlorophenyl)sulfonyl-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-(4-chlorophenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-chlorophenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-chlorophenyl)sulfonyl-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide Formula: C19H22ClN3O3S2 MolecularWeight: 439.97928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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