4-(1,3-benzothiazol-2-yl)-N-(2-oxidanylideneazepan-3-yl)butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-(2-oxidanylideneazepan-3-yl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-(2-oxoazepan-3-yl)butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-(2-oxo-3-azepanyl)butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-(2-oxoazepan-3-yl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-(2-ketoazepan-3-yl)butyramide Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H21N3O2S/c21-15(19-13-7-3-4-11-18-17(13)22)9-5-10-16-20-12-6-1-2-8-14(12)23-16/h1-2,6,8,13H,3-5,7,9-11H2,(H,18,22)(H,19,21)