2-(2-azanyl-6-methoxy-1,3-benzothiazol-3-ium-3-yl)-N-(3-cyanophenyl)ethanamide chloride

Systemtic Name: 2-(2-azanyl-6-methoxy-1,3-benzothiazol-3-ium-3-yl)-N-(3-cyanophenyl)ethanamide chloride Openeye Name: 2-(2-amino-6-methoxy-1,3-benzothiazol-3-ium-3-yl)-N-(3-cyanophenyl)acetamide chloride CAS Name: 2-(2-amino-6-methoxy-1,3-benzothiazol-3-ium-3-yl)-N-(3-cyanophenyl)acetamide chloride IUPAC Name: 2-(2-amino-6-methoxy-1,3-benzothiazol-3-ium-3-yl)-N-(3-cyanophenyl)acetamide chloride Traditional Name: 2-(2-amino-6-methoxy-1,3-benzothiazol-3-ium-3-yl)-N-(3-cyanophenyl)acetamide chloride Formula: C17H15ClN4O2S MolecularWeight: 374.8446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[N+](=C(S2)N)CC(=O)NC3=CC=CC(=C3)C#N.[Cl-]

Isomeric SMILES

COC1=CC2=C(C=C1)[N+](=C(S2)N)CC(=O)NC3=CC=CC(=C3)C#N.[Cl-]

InChI

InChI=1S/C17H14N4O2S.ClH/c1-23-13-5-6-14-15(8-13)24-17(19)21(14)10-16(22)20-12-4-2-3-11(7-12)9-18;/h2-8,19H,10H2,1H3,(H,20,22);1H