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

Systemtic Name: 2-bromanyl-N-[1-[(4-fluoranyl-3-methyl-phenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-bromo-N-[1-[(4-fluoro-3-methyl-phenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-bromo-N-[1-[(4-fluoro-3-methylphenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-bromo-N-[1-[(4-fluoro-3-methylphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-bromo-N-[1-[(4-fluoro-3-methyl-benzyl)carbamoyl]-3-(methylthio)propyl]benzamide Formula: C20H22BrFN2O2S MolecularWeight: 453.368283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrFN2O2S/c1-13-11-14(7-8-17(13)22)12-23-20(26)18(9-10-27-2)24-19(25)15-5-3-4-6-16(15)21/h3-8,11,18H,9-10,12H2,1-2H3,(H,23,26)(H,24,25)