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

Systemtic Name: 4-[4-bromanyl-2,6-bis(chloranyl)phenyl]sulfonyl-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(4-bromo-2,6-dichloro-phenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: 4-(4-bromo-2,6-dichlorophenyl)sulfonyl-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-benzyl-4-(4-bromo-2,6-dichloro-phenyl)sulfonyl-piperazine-1-carbothioamide Formula: C18H18BrCl2N3O2S2 MolecularWeight: 523.29442

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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=C3Cl)Br)Cl

Isomeric SMILES

C1CN(CCN1C(=S)NCC2=CC=CC=C2)S(=O)(=O)C3=C(C=C(C=C3Cl)Br)Cl

InChI

InChI=1S/C18H18BrCl2N3O2S2/c19-14-10-15(20)17(16(21)11-14)28(25,26)24-8-6-23(7-9-24)18(27)22-12-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H,22,27)