methyl 2-acetamido-3-[4-(carbamothioylamino)phenyl]-2-methyl-propanoate

Systemtic Name: methyl 2-acetamido-3-[4-(carbamothioylamino)phenyl]-2-methyl-propanoate Openeye Name: methyl 2-acetamido-3-[4-(carbamothioylamino)phenyl]-2-methyl-propanoate CAS Name: 2-acetamido-3-[4-(carbamothioylamino)phenyl]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-[4-(carbamothioylamino)phenyl]-2-methylpropanoate Traditional Name: 2-acetamido-2-methyl-3-(4-thioureidophenyl)propionic acid methyl ester Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C)(CC1=CC=C(C=C1)NC(=S)N)C(=O)OC

Isomeric SMILES

CC(=O)NC(C)(CC1=CC=C(C=C1)NC(=S)N)C(=O)OC

InChI

InChI=1S/C14H19N3O3S/c1-9(18)17-14(2,12(19)20-3)8-10-4-6-11(7-5-10)16-13(15)21/h4-7H,8H2,1-3H3,(H,17,18)(H3,15,16,21)