2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-methyl-6-propan-2-yl-phenyl)ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-methyl-6-propan-2-yl-phenyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-isopropyl-6-methyl-phenyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(2-methyl-6-propan-2-ylphenyl)acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(2-isopropyl-6-methyl-phenyl)acetamide Formula: C21H25NO3S MolecularWeight: 371.4931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H25NO3S/c1-14(2)17-7-4-6-15(3)21(17)22-20(23)13-26-16-8-9-18-19(12-16)25-11-5-10-24-18/h4,6-9,12,14H,5,10-11,13H2,1-3H3,(H,22,23)