5-bromanyl-2-methoxy-3-methyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide

Systemtic Name: 5-bromanyl-2-methoxy-3-methyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Openeye Name: 5-bromo-2-methoxy-3-methyl-N-(3-pyridylmethylcarbamothioyl)benzamide CAS Name: 5-bromo-2-methoxy-3-methyl-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-3-methyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Traditional Name: 5-bromo-2-methoxy-3-methyl-N-(3-pyridylmethylthiocarbamoyl)benzamide Formula: C16H16BrN3O2S MolecularWeight: 394.28614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NCC2=CN=CC=C2)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NCC2=CN=CC=C2)OC

InChI

InChI=1S/C16H16BrN3O2S/c1-10-6-12(17)7-13(14(10)22-2)15(21)20-16(23)19-9-11-4-3-5-18-8-11/h3-8H,9H2,1-2H3,(H2,19,20,21,23)