N-(4-bromanyl-3-methyl-phenyl)-4-(4-chlorophenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-(4-chlorophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-4-(4-chlorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(4-bromo-3-methylphenyl)-4-(4-chlorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-(4-chlorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-(4-chlorophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C18H19BrClN3O2S2 MolecularWeight: 488.84936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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