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

Systemtic Name: methyl 4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H17N3O4S/c1-12-16(17(23-27-12)13-6-4-3-5-7-13)18(24)22-20(28)21-15-10-8-14(9-11-15)19(25)26-2/h3-11H,1-2H3,(H2,21,22,24,28)