N-(3-chloranyl-2,6-diethyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide

Systemtic Name: N-(3-chloranyl-2,6-diethyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide Openeye Name: N-(3-chloro-2,6-diethyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide CAS Name: N-(3-chloro-2,6-diethylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide IUPAC Name: N-(3-chloro-2,6-diethylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide Traditional Name: N-(3-chloro-2,6-diethyl-phenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide Formula: C21H24ClNO3S MolecularWeight: 405.93816

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H24ClNO3S/c1-3-14-6-8-17(22)16(4-2)21(14)23-20(24)13-27-15-7-9-18-19(12-15)26-11-5-10-25-18/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,23,24)