3-(4-chlorophenyl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide Openeye Name: 3-(4-chlorophenyl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide CAS Name: 3-[(4-chlorophenyl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide IUPAC Name: 3-(4-chlorophenyl)sulfanyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide Traditional Name: 3-[(4-chlorophenyl)thio]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propionamide Formula: C18H18ClNO3S MolecularWeight: 363.85842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CCSC3=CC=C(C=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CCSC3=CC=C(C=C3)Cl)OC1

InChI

InChI=1S/C18H18ClNO3S/c19-13-2-5-15(6-3-13)24-11-8-18(21)20-14-4-7-16-17(12-14)23-10-1-9-22-16/h2-7,12H,1,8-11H2,(H,20,21)