ethyl 4-(1,2-benzoxazol-3-ylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(1,2-benzoxazol-3-ylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(1,2-benzoxazol-3-ylcarbamothioylamino)benzoate CAS Name: 4-[[(1,2-benzoxazol-3-ylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(1,2-benzoxazol-3-ylcarbamothioylamino)benzoate Traditional Name: 4-(indoxazen-3-ylthiocarbamoylamino)benzoic acid ethyl ester Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NOC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NOC3=CC=CC=C32

InChI

InChI=1S/C17H15N3O3S/c1-2-22-16(21)11-7-9-12(10-8-11)18-17(24)19-15-13-5-3-4-6-14(13)23-20-15/h3-10H,2H2,1H3,(H2,18,19,20,24)