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

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-(4-bromo-2-chloro-phenyl)piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-(4-bromo-2-chlorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-(4-bromo-2-chlorophenyl)piperazine-1-carbothioamide Traditional Name: 4-besyl-N-(4-bromo-2-chloro-phenyl)piperazine-1-carbothioamide Formula: C17H17BrClN3O2S2 MolecularWeight: 474.82278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NC2=C(C=C(C=C2)Br)Cl)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=S)NC2=C(C=C(C=C2)Br)Cl)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H17BrClN3O2S2/c18-13-6-7-16(15(19)12-13)20-17(25)21-8-10-22(11-9-21)26(23,24)14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H,20,25)