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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCCC2=CC=CC=C2)S(=O)(=O)C3=C(C=C(C=C3Cl)Br)Cl

Isomeric SMILES

C1CN(CCN1C(=S)NCCC2=CC=CC=C2)S(=O)(=O)C3=C(C=C(C=C3Cl)Br)Cl

InChI

InChI=1S/C19H20BrCl2N3O2S2/c20-15-12-16(21)18(17(22)13-15)29(26,27)25-10-8-24(9-11-25)19(28)23-7-6-14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,23,28)