[4-(6-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl]methyl carbamimidothioate hydrochloride

Systemtic Name: [4-(6-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl]methyl carbamimidothioate hydrochloride Openeye Name: 2-[[4-(6-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid [4-(6-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]methyl ester hydrochloride IUPAC Name: [4-(6-methyl-4-oxo-3,1-benzoxazin-2-yl)phenyl]methyl carbamimidothioate hydrochloride Traditional Name: 2-[4-(4-keto-6-methyl-3,1-benzoxazin-2-yl)benzyl]isothiourea hydrochloride Formula: C17H16ClN3O2S MolecularWeight: 361.84584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(OC2=O)C3=CC=C(C=C3)CSC(=N)N.Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(OC2=O)C3=CC=C(C=C3)CSC(=N)N.Cl

InChI

InChI=1S/C17H15N3O2S.ClH/c1-10-2-7-14-13(8-10)16(21)22-15(20-14)12-5-3-11(4-6-12)9-23-17(18)19;/h2-8H,9H2,1H3,(H3,18,19);1H