4-(1,3-benzothiazol-2-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butyramide Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CCCC3=NC4=CC=CC=C4S3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CCCC3=NC4=CC=CC=C4S3)OC1

InChI

InChI=1S/C20H20N2O3S/c23-19(7-3-8-20-22-15-5-1-2-6-18(15)26-20)21-14-9-10-16-17(13-14)25-12-4-11-24-16/h1-2,5-6,9-10,13H,3-4,7-8,11-12H2,(H,21,23)