2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-methyl-N-[(2-methylphenyl)methyl]ethanamide

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-methyl-N-[(2-methylphenyl)methyl]ethanamide Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-methyl-N-(o-tolylmethyl)acetamide CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-methyl-N-[(2-methylphenyl)methyl]acetamide IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-methyl-N-(2-methylbenzyl)acetamide Formula: C21H24ClNO3S MolecularWeight: 405.93816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C)C(=O)CSCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC1=CC=CC=C1CN(C)C(=O)CSCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C21H24ClNO3S/c1-15-6-3-4-7-17(15)12-23(2)20(24)14-27-13-16-10-18(22)21-19(11-16)25-8-5-9-26-21/h3-4,6-7,10-11H,5,8-9,12-14H2,1-2H3