methyl N'-(2H-1,4-benzoxazin-3-ylamino)carbamimidothioate

Systemtic Name: methyl N'-(2H-1,4-benzoxazin-3-ylamino)carbamimidothioate Openeye Name: 3-(2H-1,4-benzoxazin-3-ylamino)-2-methyl-isothiourea CAS Name: N'-(2H-1,4-benzoxazin-3-ylamino)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(2H-1,4-benzoxazin-3-ylamino)carbamimidothioate Traditional Name: 3-(2H-1,4-benzoxazin-3-ylamino)-2-methyl-isothiourea Formula: C10H12N4OS MolecularWeight: 236.29348

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NNC1=NC2=CC=CC=C2OC1)N

Isomeric SMILES

CS/C(=N\NC1=NC2=CC=CC=C2OC1)/N

InChI

InChI=1S/C10H12N4OS/c1-16-10(11)14-13-9-6-15-8-5-3-2-4-7(8)12-9/h2-5H,6H2,1H3,(H2,11,14)(H,12,13)