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

Systemtic Name: methyl 2-[4-(carbamothioylamino)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl 3-(tert-butoxycarbonylamino)-2-[4-(carbamothioylamino)phenyl]propanoate CAS Name: 2-[4-(carbamothioylamino)phenyl]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[4-(carbamothioylamino)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)-2-(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)NCC(C1=CC=C(C=C1)NC(=S)N)C(=O)OC

Isomeric SMILES

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

InChI

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