2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl-methyl-amino]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl-methyl-amino]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]-methyl-amino]-N-(p-tolyl)acetamide CAS Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]-methylamino]-N-(4-methylphenyl)acetamide Traditional Name: 2-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]-methyl-amino]-N-(p-tolyl)acetamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-15-4-6-16(7-5-15)22-20(24)13-23(2)21(25)14-28-17-8-9-18-19(12-17)27-11-3-10-26-18/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,22,24)