2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-methylcyclohexyl)propanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-methylcyclohexyl)propanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-methylcyclohexyl)propanamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(2-methylcyclohexyl)propanamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-methylcyclohexyl)propanamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(2-methylcyclohexyl)propionamide Formula: C19H27NO3S MolecularWeight: 349.48758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)SC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)SC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H27NO3S/c1-13-6-3-4-7-16(13)20-19(21)14(2)24-15-8-9-17-18(12-15)23-11-5-10-22-17/h8-9,12-14,16H,3-7,10-11H2,1-2H3,(H,20,21)