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

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-4-tosyl-piperazine-1-carbothioamide Formula: C18H19BrClN3O2S2 MolecularWeight: 488.84936

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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=C(C=C3)Br)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrClN3O2S2/c1-13-2-5-15(6-3-13)27(24,25)23-10-8-22(9-11-23)18(26)21-17-7-4-14(19)12-16(17)20/h2-7,12H,8-11H2,1H3,(H,21,26)