2-bromanyl-N-[1-[(3-fluoranyl-4-methyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-bromanyl-N-[1-[(3-fluoranyl-4-methyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-bromo-N-[1-[(3-fluoro-4-methyl-phenyl)carbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-bromo-N-[1-(3-fluoro-4-methylanilino)-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-bromo-N-[1-(3-fluoro-4-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-bromo-N-[1-[(3-fluoro-4-methyl-phenyl)carbamoyl]-3-(methylthio)propyl]benzamide Formula: C19H20BrFN2O2S MolecularWeight: 439.341703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br)F

InChI

InChI=1S/C19H20BrFN2O2S/c1-12-7-8-13(11-16(12)21)22-19(25)17(9-10-26-2)23-18(24)14-5-3-4-6-15(14)20/h3-8,11,17H,9-10H2,1-2H3,(H,22,25)(H,23,24)