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

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-[3-(2-oxidanylideneazepan-1-yl)propyl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-[3-(2-oxoazepan-1-yl)propyl]butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-[3-(2-oxo-1-azepanyl)propyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-[3-(2-oxoazepan-1-yl)propyl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-[3-(2-ketoazepan-1-yl)propyl]butyramide Formula: C20H27N3O2S MolecularWeight: 373.51228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H27N3O2S/c24-18(21-13-7-15-23-14-5-1-2-12-20(23)25)10-6-11-19-22-16-8-3-4-9-17(16)26-19/h3-4,8-9H,1-2,5-7,10-15H2,(H,21,24)