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

Systemtic Name: 4-(4-bromanyl-2-chloranyl-phenyl)sulfonyl-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(4-bromo-2-chloro-phenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: 4-(4-bromo-2-chlorophenyl)sulfonyl-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(4-bromo-2-chlorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-benzyl-4-(4-bromo-2-chloro-phenyl)sulfonyl-piperazine-1-carbothioamide Formula: C18H19BrClN3O2S2 MolecularWeight: 488.84936

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCC2=CC=CC=C2)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1CN(CCN1C(=S)NCC2=CC=CC=C2)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C18H19BrClN3O2S2/c19-15-6-7-17(16(20)12-15)27(24,25)23-10-8-22(9-11-23)18(26)21-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,26)