N-[(4-bromanyl-2-methyl-phenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[(4-bromanyl-2-methyl-phenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[(4-bromo-2-methyl-phenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[(4-bromo-2-methylanilino)-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[(4-bromo-2-methylphenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[(4-bromo-2-methyl-phenyl)thiocarbamoyl]piazthiole-5-carboxamide Formula: C15H11BrN4OS2 MolecularWeight: 407.30804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=S)NC(=O)C2=CC3=NSN=C3C=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=S)NC(=O)C2=CC3=NSN=C3C=C2

InChI

InChI=1S/C15H11BrN4OS2/c1-8-6-10(16)3-5-11(8)17-15(22)18-14(21)9-2-4-12-13(7-9)20-23-19-12/h2-7H,1H3,(H2,17,18,21,22)