methyl 3-[4-(carbamothioylamino)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl 3-[4-(carbamothioylamino)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-3-[4-(carbamothioylamino)phenyl]propanoate CAS Name: 3-[4-(carbamothioylamino)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(carbamothioylamino)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-(4-thioureidophenyl)propionic acid methyl ester Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4S/c1-16(2,3)23-15(21)19-12(13(20)22-4)9-10-5-7-11(8-6-10)18-14(17)24/h5-8,12H,9H2,1-4H3,(H,19,21)(H3,17,18,24)