4-[4-bromanyl-2,6-bis(chloranyl)phenyl]sulfonyl-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[4-bromanyl-2,6-bis(chloranyl)phenyl]sulfonyl-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-bromo-2,6-dichloro-phenyl)sulfonyl-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(4-bromo-2,6-dichlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-bromo-2,6-dichlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-bromo-2,6-dichloro-phenyl)sulfonyl-N-(2,5-dimethylphenyl)piperazine-1-carbothioamide Formula: C19H20BrCl2N3O2S2 MolecularWeight: 537.321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3Cl)Br)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3Cl)Br)Cl

InChI

InChI=1S/C19H20BrCl2N3O2S2/c1-12-3-4-13(2)17(9-12)23-19(28)24-5-7-25(8-6-24)29(26,27)18-15(21)10-14(20)11-16(18)22/h3-4,9-11H,5-8H2,1-2H3,(H,23,28)