N-(5-chloranyl-2-methyl-phenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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