4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-4-oxidanylidene-butanamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-4-oxidanylidene-butanamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-morpholino-1,3-benzothiazol-6-yl)-4-oxo-butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-4-oxobutanamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-4-oxobutanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-N-(2-morpholino-1,3-benzothiazol-6-yl)butyramide Formula: C24H25N3O5S MolecularWeight: 467.5374

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)NC3=CC4=C(C=C3)N=C(S4)N5CCOCC5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)NC3=CC4=C(C=C3)N=C(S4)N5CCOCC5)OC1

InChI

InChI=1S/C24H25N3O5S/c28-19(16-2-6-20-21(14-16)32-11-1-10-31-20)5-7-23(29)25-17-3-4-18-22(15-17)33-24(26-18)27-8-12-30-13-9-27/h2-4,6,14-15H,1,5,7-13H2,(H,25,29)