2-[3-(carbamothioylamino)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoic acid

Systemtic Name: 2-[3-(carbamothioylamino)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-2-[3-(carbamothioylamino)phenyl]acetic acid CAS Name: 2-[3-(carbamothioylamino)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid IUPAC Name: 2-[3-(carbamothioylamino)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid Traditional Name: 2-(tert-butoxycarbonylamino)-2-(3-thioureidophenyl)acetic acid Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O4S/c1-14(2,3)21-13(20)17-10(11(18)19)8-5-4-6-9(7-8)16-12(15)22/h4-7,10H,1-3H3,(H,17,20)(H,18,19)(H3,15,16,22)