N-[(5-bromanyl-6-methyl-pyridin-2-yl)carbamothioyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[(5-bromanyl-6-methyl-pyridin-2-yl)carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[(5-bromo-6-methyl-2-pyridyl)carbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[(5-bromo-6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[(5-bromo-6-methylpyridin-2-yl)carbamothioyl]-3,4-dimethylbenzamide Traditional Name: N-[(5-bromo-6-methyl-2-pyridyl)thiocarbamoyl]-3,4-dimethyl-benzamide Formula: C16H16BrN3OS MolecularWeight: 378.28674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC(=C(C=C2)Br)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC(=C(C=C2)Br)C)C

InChI

InChI=1S/C16H16BrN3OS/c1-9-4-5-12(8-10(9)2)15(21)20-16(22)19-14-7-6-13(17)11(3)18-14/h4-8H,1-3H3,(H2,18,19,20,21,22)