[3-(4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl]methyl carbamimidothioate

Systemtic Name: [3-(4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl]methyl carbamimidothioate Openeye Name: 2-[[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]methyl]isothiourea CAS Name: carbamimidothioic acid [3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]methyl ester IUPAC Name: [3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]methyl carbamimidothioate Traditional Name: 2-[3-(4-keto-3,1-benzoxazin-2-yl)benzyl]isothiourea Formula: C16H13N3O2S MolecularWeight: 311.35832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC(=CC=C3)CSC(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC(=CC=C3)CSC(=N)N

InChI

InChI=1S/C16H13N3O2S/c17-16(18)22-9-10-4-3-5-11(8-10)14-19-13-7-2-1-6-12(13)15(20)21-14/h1-8H,9H2,(H3,17,18)