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

Systemtic Name: N-[(2S)-1-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]carbamoyl]-3-methylsulfanyl-propyl]furan-2-carboxamide CAS Name: N-[(2S)-1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-4-(methylthio)-1-oxobutan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]carbamoyl]-3-(methylthio)propyl]-2-furamide Formula: C19H22BrN3O4S MolecularWeight: 468.36468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN3O4S/c1-12-10-13(20)5-6-14(12)22-17(24)11-21-18(25)15(7-9-28-2)23-19(26)16-4-3-8-27-16/h3-6,8,10,15H,7,9,11H2,1-2H3,(H,21,25)(H,22,24)(H,23,26)/t15-/m0/s1