[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C15H20BrN3O4S MolecularWeight: 418.306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C(CCSC)NC(=O)N)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)[C@H](CCSC)NC(=O)N)Br

InChI

InChI=1S/C15H20BrN3O4S/c1-9-7-10(3-4-11(9)16)18-13(20)8-23-14(21)12(5-6-24-2)19-15(17)22/h3-4,7,12H,5-6,8H2,1-2H3,(H,18,20)(H3,17,19,22)/t12-/m0/s1