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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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