3-[2-azanyl-3-(1,2-thiazin-2-yl)benzimidazol-5-yl]-3-oxidanyl-3-phenyl-propanamide hydrochloride

Systemtic Name: 3-[2-azanyl-3-(1,2-thiazin-2-yl)benzimidazol-5-yl]-3-oxidanyl-3-phenyl-propanamide hydrochloride Openeye Name: 3-[2-amino-3-(thiazin-2-yl)benzimidazol-5-yl]-3-hydroxy-3-phenyl-propanamide hydrochloride CAS Name: 3-[2-amino-3-(2-thiazinyl)-5-benzimidazolyl]-3-hydroxy-3-phenylpropanamide hydrochloride IUPAC Name: 3-[2-amino-3-(thiazin-2-yl)benzimidazol-5-yl]-3-hydroxy-3-phenylpropanamide hydrochloride Traditional Name: 3-[2-amino-3-(thiazin-2-yl)benzimidazol-5-yl]-3-hydroxy-3-phenyl-propionamide hydrochloride Formula: C20H20ClN5O2S MolecularWeight: 429.9231

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)N)(C2=CC3=C(C=C2)N=C(N3N4C=CC=CS4)N)O.Cl

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)N)(C2=CC3=C(C=C2)N=C(N3N4C=CC=CS4)N)O.Cl

InChI

InChI=1S/C20H19N5O2S.ClH/c21-18(26)13-20(27,14-6-2-1-3-7-14)15-8-9-16-17(12-15)25(19(22)23-16)24-10-4-5-11-28-24;/h1-12,27H,13H2,(H2,21,26)(H2,22,23);1H