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

Systemtic Name: N-[(2S)-1-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[(1S)-1-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]carbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: N-[(2S)-1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: N-[(2S)-1-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: N-[(1S)-1-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]carbamoyl]-3-(methylthio)propyl]benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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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=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O3S/c1-14-12-16(22)8-9-17(14)24-19(26)13-23-21(28)18(10-11-29-2)25-20(27)15-6-4-3-5-7-15/h3-9,12,18H,10-11,13H2,1-2H3,(H,23,28)(H,24,26)(H,25,27)/t18-/m0/s1