4-(3-bromophenyl)sulfonyl-N-(2-methylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(3-bromophenyl)sulfonyl-N-(2-methylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(3-bromophenyl)sulfonyl-N-(o-tolyl)piperazine-1-carbothioamide CAS Name: 4-(3-bromophenyl)sulfonyl-N-(2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3-bromophenyl)sulfonyl-N-(2-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-bromophenyl)sulfonyl-N-(o-tolyl)piperazine-1-carbothioamide Formula: C18H20BrN3O2S2 MolecularWeight: 454.4043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C18H20BrN3O2S2/c1-14-5-2-3-8-17(14)20-18(25)21-9-11-22(12-10-21)26(23,24)16-7-4-6-15(19)13-16/h2-8,13H,9-12H2,1H3,(H,20,25)