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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butyramide Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CCCSC3=NC4=CC=CC=C4S3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CCCSC3=NC4=CC=CC=C4S3)OC1

InChI

InChI=1S/C20H20N2O3S2/c23-19(21-14-8-9-16-17(13-14)25-11-4-10-24-16)7-3-12-26-20-22-15-5-1-2-6-18(15)27-20/h1-2,5-6,8-9,13H,3-4,7,10-12H2,(H,21,23)