(2-oxidanylidene-1,3-benzoxazol-3-yl)methyl N'-phenylcarbamimidothioate

Systemtic Name: (2-oxidanylidene-1,3-benzoxazol-3-yl)methyl N'-phenylcarbamimidothioate Openeye Name: 2-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-3-phenyl-isothiourea CAS Name: N'-phenylcarbamimidothioic acid (2-oxo-1,3-benzoxazol-3-yl)methyl ester IUPAC Name: (2-oxo-1,3-benzoxazol-3-yl)methyl N'-phenylcarbamimidothioate Traditional Name: 2-[(2-keto-1,3-benzoxazol-3-yl)methyl]-3-phenyl-isothiourea Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=C(N)SCN2C3=CC=CC=C3OC2=O

Isomeric SMILES

C1=CC=C(C=C1)N=C(N)SCN2C3=CC=CC=C3OC2=O

InChI

InChI=1S/C15H13N3O2S/c16-14(17-11-6-2-1-3-7-11)21-10-18-12-8-4-5-9-13(12)20-15(18)19/h1-9H,10H2,(H2,16,17)