2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoylamino]-N-(2,3-dimethylphenyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-14-5-3-6-17(15(14)2)23-20(24)12-22-21(25)13-28-16-7-8-18-19(11-16)27-10-4-9-26-18/h3,5-8,11H,4,9-10,12-13H2,1-2H3,(H,22,25)(H,23,24)