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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

InChI

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