4-[3-[(2-bromanyl-5-methyl-phenyl)sulfamoyl]phenyl]carbonylpiperazine-1-carbothioamide

Systemtic Name: 4-[3-[(2-bromanyl-5-methyl-phenyl)sulfamoyl]phenyl]carbonylpiperazine-1-carbothioamide Openeye Name: 4-[3-[(2-bromo-5-methyl-phenyl)sulfamoyl]benzoyl]piperazine-1-carbothioamide CAS Name: 4-[[3-[(2-bromo-5-methylphenyl)sulfamoyl]phenyl]-oxomethyl]-1-piperazinecarbothioamide IUPAC Name: 4-[3-[(2-bromo-5-methylphenyl)sulfamoyl]benzoyl]piperazine-1-carbothioamide Traditional Name: 4-[3-[(2-bromo-5-methyl-phenyl)sulfamoyl]benzoyl]piperazine-1-carbothioamide Formula: C19H21BrN4O3S2 MolecularWeight: 497.42904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Br)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C(=S)N

Isomeric SMILES

CC1=CC(=C(C=C1)Br)NS(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C(=S)N

InChI

InChI=1S/C19H21BrN4O3S2/c1-13-5-6-16(20)17(11-13)22-29(26,27)15-4-2-3-14(12-15)18(25)23-7-9-24(10-8-23)19(21)28/h2-6,11-12,22H,7-10H2,1H3,(H2,21,28)