2-bromanyl-N-[1-[(6-methoxypyridin-3-yl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-bromanyl-N-[1-[(6-methoxypyridin-3-yl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-bromo-N-[1-[(6-methoxy-3-pyridyl)carbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-bromo-N-[1-[(6-methoxy-3-pyridinyl)amino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-bromo-N-[1-[(6-methoxypyridin-3-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-bromo-N-[1-[(6-methoxy-3-pyridyl)carbamoyl]-3-(methylthio)propyl]benzamide Formula: C18H20BrN3O3S MolecularWeight: 438.3387

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

COC1=NC=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C18H20BrN3O3S/c1-25-16-8-7-12(11-20-16)21-18(24)15(9-10-26-2)22-17(23)13-5-3-4-6-14(13)19/h3-8,11,15H,9-10H2,1-2H3,(H,21,24)(H,22,23)