3-(1,3-benzothiazol-2-yl)-N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]propionamide Formula: C20H19ClN2O3S MolecularWeight: 402.89446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)CCC3=NC4=CC=CC=C4S3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)CCC3=NC4=CC=CC=C4S3)Cl)OC1

InChI

InChI=1S/C20H19ClN2O3S/c21-14-10-13(11-16-20(14)26-9-3-8-25-16)12-22-18(24)6-7-19-23-15-4-1-2-5-17(15)27-19/h1-2,4-5,10-11H,3,6-9,12H2,(H,22,24)