N-[2,3-bis(chloranyl)phenyl]-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[2,3-bis(chloranyl)phenyl]-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2,3-dichlorophenyl)-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: N-(2,3-dichlorophenyl)-4-(4-methylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2,3-dichlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2,3-dichlorophenyl)-4-tosyl-piperazine-1-carbothioamide Formula: C18H19Cl2N3O2S2 MolecularWeight: 444.39836

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H19Cl2N3O2S2/c1-13-5-7-14(8-6-13)27(24,25)23-11-9-22(10-12-23)18(26)21-16-4-2-3-15(19)17(16)20/h2-8H,9-12H2,1H3,(H,21,26)