2-[4-(carbamothioylamino)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 2-[4-(carbamothioylamino)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-(tert-butoxycarbonylamino)-2-[4-(carbamothioylamino)phenyl]propanoic acid CAS Name: 2-[4-(carbamothioylamino)phenyl]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 2-[4-(carbamothioylamino)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-(tert-butoxycarbonylamino)-2-(4-thioureidophenyl)propionic acid Formula: C15H21N3O4S MolecularWeight: 339.40994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O4S/c1-15(2,3)22-14(21)17-8-11(12(19)20)9-4-6-10(7-5-9)18-13(16)23/h4-7,11H,8H2,1-3H3,(H,17,21)(H,19,20)(H3,16,18,23)