4-(4-bromanyl-2-chloranyl-phenyl)sulfonyl-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-bromanyl-2-chloranyl-phenyl)sulfonyl-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-bromo-2-chloro-phenyl)sulfonyl-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(4-bromo-2-chlorophenyl)sulfonyl-N-(2,3-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-bromo-2-chlorophenyl)sulfonyl-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-bromo-2-chloro-phenyl)sulfonyl-N-(2,3-dimethylphenyl)piperazine-1-carbothioamide Formula: C19H21BrClN3O2S2 MolecularWeight: 502.87594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrClN3O2S2/c1-13-4-3-5-17(14(13)2)22-19(27)23-8-10-24(11-9-23)28(25,26)18-7-6-15(20)12-16(18)21/h3-7,12H,8-11H2,1-2H3,(H,22,27)