2-(2-azanylidene-6-methoxy-1,3-benzothiazol-3-yl)-1-(azepan-1-yl)ethanone hydrochloride

Systemtic Name: 2-(2-azanylidene-6-methoxy-1,3-benzothiazol-3-yl)-1-(azepan-1-yl)ethanone hydrochloride Openeye Name: 1-(azepan-1-yl)-2-(2-imino-6-methoxy-1,3-benzothiazol-3-yl)ethanone hydrochloride CAS Name: 1-(1-azepanyl)-2-(2-imino-6-methoxy-1,3-benzothiazol-3-yl)ethanone hydrochloride IUPAC Name: 1-(azepan-1-yl)-2-(2-imino-6-methoxy-1,3-benzothiazol-3-yl)ethanone hydrochloride Traditional Name: 1-(azepan-1-yl)-2-(2-imino-6-methoxy-1,3-benzothiazol-3-yl)ethanone hydrochloride Formula: C16H22ClN3O2S MolecularWeight: 355.88278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=N)S2)CC(=O)N3CCCCCC3.Cl

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=N)S2)CC(=O)N3CCCCCC3.Cl

InChI

InChI=1S/C16H21N3O2S.ClH/c1-21-12-6-7-13-14(10-12)22-16(17)19(13)11-15(20)18-8-4-2-3-5-9-18;/h6-7,10,17H,2-5,8-9,11H2,1H3;1H