1,3-benzoxazol-2-yl (1Z)-2-oxidanylidene-N-phenylazanyl-propanimidothioate

Systemtic Name: 1,3-benzoxazol-2-yl (1Z)-2-oxidanylidene-N-phenylazanyl-propanimidothioate Openeye Name: 1,3-benzoxazol-2-yl (1Z)-N-anilino-2-oxo-propanimidothioate CAS Name: (1Z)-N-anilino-2-oxopropanimidothioic acid 1,3-benzoxazol-2-yl ester IUPAC Name: 1,3-benzoxazol-2-yl (1Z)-N-anilino-2-oxopropanimidothioate Traditional Name: (1Z)-N-anilino-2-keto-thiopropionimidic acid 1,3-benzoxazol-2-yl ester Formula: C16H13N3O2S MolecularWeight: 311.35832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=NNC1=CC=CC=C1)SC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(=O)/C(=N/NC1=CC=CC=C1)/SC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C16H13N3O2S/c1-11(20)15(19-18-12-7-3-2-4-8-12)22-16-17-13-9-5-6-10-14(13)21-16/h2-10,18H,1H3/b19-15-