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

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]propanamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]propanamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]propanamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]propanamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]propionamide Formula: C20H22ClNO3S MolecularWeight: 391.91158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C(C)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C(C)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClNO3S/c1-13(15-4-9-18-19(12-15)25-11-3-10-24-18)22-20(23)14(2)26-17-7-5-16(21)6-8-17/h4-9,12-14H,3,10-11H2,1-2H3,(H,22,23)