3-(1,3-benzothiazol-2-yl)-N-(2-oxidanylideneazepan-3-yl)propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-(2-oxidanylideneazepan-3-yl)propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-(2-oxoazepan-3-yl)propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-(2-oxo-3-azepanyl)propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-(2-oxoazepan-3-yl)propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-(2-ketoazepan-3-yl)propionamide Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H19N3O2S/c20-14(18-12-6-3-4-10-17-16(12)21)8-9-15-19-11-5-1-2-7-13(11)22-15/h1-2,5,7,12H,3-4,6,8-10H2,(H,17,21)(H,18,20)