ethyl 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(5-tert-butylisoxazol-3-yl)carbamothioylamino]benzoate CAS Name: 4-[[[(5-tert-butyl-3-isoxazolyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamothioylamino]benzoate Traditional Name: 4-[(5-tert-butylisoxazol-3-yl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NOC(=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NOC(=C2)C(C)(C)C

InChI

InChI=1S/C17H21N3O3S/c1-5-22-15(21)11-6-8-12(9-7-11)18-16(24)19-14-10-13(23-20-14)17(2,3)4/h6-10H,5H2,1-4H3,(H2,18,19,20,24)