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

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-(5-chloro-2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-(5-chloro-2-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-besyl-N-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioamide Formula: C18H20ClN3O2S2 MolecularWeight: 409.9533

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O2S2/c1-14-7-8-15(19)13-17(14)20-18(25)21-9-11-22(12-10-21)26(23,24)16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3,(H,20,25)