ethyl N'-[(E)-1,3-benzoxazol-2-ylmethylideneamino]carbamimidothioate

Systemtic Name: ethyl N'-[(E)-1,3-benzoxazol-2-ylmethylideneamino]carbamimidothioate Openeye Name: 3-[(E)-1,3-benzoxazol-2-ylmethyleneamino]-2-ethyl-isothiourea CAS Name: N'-[(E)-1,3-benzoxazol-2-ylmethylideneamino]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[(E)-1,3-benzoxazol-2-ylmethylideneamino]carbamimidothioate Traditional Name: 3-[(E)-1,3-benzoxazol-2-ylmethyleneamino]-2-ethyl-isothiourea Formula: C11H12N4OS MolecularWeight: 248.30418

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NN=CC1=NC2=CC=CC=C2O1)N

Isomeric SMILES

CCS/C(=N/N=C/C1=NC2=CC=CC=C2O1)/N

InChI

InChI=1S/C11H12N4OS/c1-2-17-11(12)15-13-7-10-14-8-5-3-4-6-9(8)16-10/h3-7H,2H2,1H3,(H2,12,15)/b13-7+