methyl 3-[[2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]amino]benzoate

Systemtic Name: methyl 3-[[2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]amino]benzoate Openeye Name: methyl 3-[(4-methylsulfanyl-2-ureido-butanoyl)amino]benzoate CAS Name: 3-[[2-(carbamoylamino)-4-(methylthio)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]benzoate Traditional Name: 3-[[4-(methylthio)-2-ureido-butanoyl]amino]benzoic acid methyl ester Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O4S/c1-21-13(19)9-4-3-5-10(8-9)16-12(18)11(6-7-22-2)17-14(15)20/h3-5,8,11H,6-7H2,1-2H3,(H,16,18)(H3,15,17,20)