2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-oxidanylideneazepan-3-yl)ethanamide

Systemtic Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-oxidanylideneazepan-3-yl)ethanamide Openeye Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-oxoazepan-3-yl)acetamide CAS Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-oxo-3-azepanyl)acetamide IUPAC Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-oxoazepan-3-yl)acetamide Traditional Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-ketoazepan-3-yl)acetamide Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)CC(=O)NC3CCCCNC3=O

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)CC(=O)NC3CCCCNC3=O

InChI

InChI=1S/C17H22N4O2S/c1-21(11-16-20-12-6-2-3-8-14(12)24-16)10-15(22)19-13-7-4-5-9-18-17(13)23/h2-3,6,8,13H,4-5,7,9-11H2,1H3,(H,18,23)(H,19,22)