3-[1,3-benzothiazol-2-yl(methyl)amino]-N'-oxidanyl-propanimidamide

Systemtic Name: 3-[1,3-benzothiazol-2-yl(methyl)amino]-N'-oxidanyl-propanimidamide Openeye Name: 3-[1,3-benzothiazol-2-yl(methyl)amino]-N'-hydroxy-propanamidine CAS Name: 3-[1,3-benzothiazol-2-yl(methyl)amino]-N'-hydroxypropanimidamide IUPAC Name: 3-[1,3-benzothiazol-2-yl(methyl)amino]-N'-hydroxypropanimidamide Traditional Name: 3-[1,3-benzothiazol-2-yl(methyl)amino]-N'-hydroxy-propionamidine Formula: C11H14N4OS MolecularWeight: 250.32006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=NO)N)C1=NC2=CC=CC=C2S1

Isomeric SMILES

CN(CC/C(=N/O)/N)C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C11H14N4OS/c1-15(7-6-10(12)14-16)11-13-8-4-2-3-5-9(8)17-11/h2-5,16H,6-7H2,1H3,(H2,12,14)