6-chloranyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-(2-morpholino-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-(2-morpholino-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O4S/c22-15-10-13(11-17-19(15)29-7-1-6-28-17)20(26)23-14-2-3-16-18(12-14)30-21(24-16)25-4-8-27-9-5-25/h2-3,10-12H,1,4-9H2,(H,23,26)