methyl 3-(1,2-benzoxazol-3-ylcarbamothioylamino)benzoate

Systemtic Name: methyl 3-(1,2-benzoxazol-3-ylcarbamothioylamino)benzoate Openeye Name: methyl 3-(1,2-benzoxazol-3-ylcarbamothioylamino)benzoate CAS Name: 3-[[(1,2-benzoxazol-3-ylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-(1,2-benzoxazol-3-ylcarbamothioylamino)benzoate Traditional Name: 3-(indoxazen-3-ylthiocarbamoylamino)benzoic acid methyl ester Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=S)NC2=NOC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=S)NC2=NOC3=CC=CC=C32

InChI

InChI=1S/C16H13N3O3S/c1-21-15(20)10-5-4-6-11(9-10)17-16(23)18-14-12-7-2-3-8-13(12)22-19-14/h2-9H,1H3,(H2,17,18,19,23)