ethyl 4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(5-methyl-3-phenyl-isoxazole-4-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(5-methyl-3-phenyl-4-isoxazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(5-methyl-3-phenyl-isoxazole-4-carbonyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C

InChI

InChI=1S/C21H19N3O4S/c1-3-27-20(26)15-9-11-16(12-10-15)22-21(29)23-19(25)17-13(2)28-24-18(17)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H2,22,23,25,29)