O-[2-azanyl-3-[(5-chloranyl-1,2-benzoxazol-3-yl)oxy]propyl] N-methylcarbamothioate hydrochloride

Systemtic Name: O-[2-azanyl-3-[(5-chloranyl-1,2-benzoxazol-3-yl)oxy]propyl] N-methylcarbamothioate hydrochloride Openeye Name: O-[2-amino-3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]propyl] N-methylcarbamothioate hydrochloride CAS Name: N-methylcarbamothioic acid O-[2-amino-3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]propyl] ester hydrochloride IUPAC Name: O-[2-amino-3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]propyl] N-methylcarbamothioate hydrochloride Traditional Name: N-methylthiocarbamic acid O-[2-amino-3-(5-chloroindoxazen-3-yl)oxy-propyl] ester hydrochloride Formula: C12H15Cl2N3O3S MolecularWeight: 352.2368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)OCC(COC1=NOC2=C1C=C(C=C2)Cl)N.Cl

Isomeric SMILES

CNC(=S)OCC(COC1=NOC2=C1C=C(C=C2)Cl)N.Cl

InChI

InChI=1S/C12H14ClN3O3S.ClH/c1-15-12(20)18-6-8(14)5-17-11-9-4-7(13)2-3-10(9)19-16-11;/h2-4,8H,5-6,14H2,1H3,(H,15,20);1H