(phenylmethyl) 2-[4-[2-[2,4-bis(chloranyl)-5-methyl-phenyl]sulfanylethanoyl]-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-[2-[2,4-bis(chloranyl)-5-methyl-phenyl]sulfanylethanoyl]-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-[2-(2,4-dichloro-5-methyl-phenyl)sulfanylacetyl]-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[2-[(2,4-dichloro-5-methylphenyl)thio]-1-oxoethyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-[2-(2,4-dichloro-5-methylphenyl)sulfanylacetyl]-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-[2-[(2,4-dichloro-5-methyl-phenyl)thio]acetyl]-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C23H26Cl2N2O3S MolecularWeight: 481.43514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)Cl)SCC(=O)N2CCCN(CC2)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)Cl)SCC(=O)N2CCCN(CC2)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H26Cl2N2O3S/c1-17-12-21(20(25)13-19(17)24)31-16-22(28)27-9-5-8-26(10-11-27)14-23(29)30-15-18-6-3-2-4-7-18/h2-4,6-7,12-13H,5,8-11,14-16H2,1H3