N-[(2S)-1-[(4-bromanyl-3-methyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-1-[(4-bromanyl-3-methyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-[(4-bromo-3-methyl-phenyl)carbamoyl]-3-methylsulfanyl-propyl]furan-2-carboxamide CAS Name: N-[(2S)-1-(4-bromo-3-methylanilino)-4-(methylthio)-1-oxobutan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-(4-bromo-3-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-[(4-bromo-3-methyl-phenyl)carbamoyl]-3-(methylthio)propyl]-2-furamide Formula: C17H19BrN2O3S MolecularWeight: 411.31336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(CCSC)NC(=O)C2=CC=CO2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)[C@H](CCSC)NC(=O)C2=CC=CO2)Br

InChI

InChI=1S/C17H19BrN2O3S/c1-11-10-12(5-6-13(11)18)19-16(21)14(7-9-24-2)20-17(22)15-4-3-8-23-15/h3-6,8,10,14H,7,9H2,1-2H3,(H,19,21)(H,20,22)/t14-/m0/s1