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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]acetamide Formula: C19H17ClN2O3S2 MolecularWeight: 420.93288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)CSC3=NC4=CC=CC=C4S3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)CSC3=NC4=CC=CC=C4S3)Cl)OC1

InChI

InChI=1S/C19H17ClN2O3S2/c20-13-8-12(9-15-18(13)25-7-3-6-24-15)10-21-17(23)11-26-19-22-14-4-1-2-5-16(14)27-19/h1-2,4-5,8-9H,3,6-7,10-11H2,(H,21,23)