ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[(tert-butoxycarbonylamino)carbamothioylamino]benzoate CAS Name: 4-[[[[(2-methylpropan-2-yl)oxy-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]carbamothioylamino]benzoate Traditional Name: 4-[(tert-butoxycarbonylamino)thiocarbamoylamino]benzoic acid ethyl ester Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)OC(C)(C)C

InChI

InChI=1S/C15H21N3O4S/c1-5-21-12(19)10-6-8-11(9-7-10)16-13(23)17-18-14(20)22-15(2,3)4/h6-9H,5H2,1-4H3,(H,18,20)(H2,16,17,23)