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

Systemtic Name: N-[(5-bromanyl-6-methyl-pyridin-2-yl)carbamothioyl]-3,5-diethoxy-benzamide Openeye Name: N-[(5-bromo-6-methyl-2-pyridyl)carbamothioyl]-3,5-diethoxy-benzamide CAS Name: N-[[(5-bromo-6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-3,5-diethoxybenzamide IUPAC Name: N-[(5-bromo-6-methylpyridin-2-yl)carbamothioyl]-3,5-diethoxybenzamide Traditional Name: N-[(5-bromo-6-methyl-2-pyridyl)thiocarbamoyl]-3,5-diethoxy-benzamide Formula: C18H20BrN3O3S MolecularWeight: 438.3387

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=NC(=C(C=C2)Br)C)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=NC(=C(C=C2)Br)C)OCC

InChI

InChI=1S/C18H20BrN3O3S/c1-4-24-13-8-12(9-14(10-13)25-5-2)17(23)22-18(26)21-16-7-6-15(19)11(3)20-16/h6-10H,4-5H2,1-3H3,(H2,20,21,22,23,26)