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

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-methyl-amino]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-methyl-amino]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-methylamino]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-methyl-amino]-N-[2-(methylthio)phenyl]acetamide Formula: C20H23ClN2O3S MolecularWeight: 406.92622

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C(=C1)Cl)OCCCO2)CC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CN(CC1=CC2=C(C(=C1)Cl)OCCCO2)CC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C20H23ClN2O3S/c1-23(13-19(24)22-16-6-3-4-7-18(16)27-2)12-14-10-15(21)20-17(11-14)25-8-5-9-26-20/h3-4,6-7,10-11H,5,8-9,12-13H2,1-2H3,(H,22,24)