2-[4-[2-[2,4-bis(chloranyl)-5-methyl-phenyl]sulfanylethanoyl]-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-[2-[2,4-bis(chloranyl)-5-methyl-phenyl]sulfanylethanoyl]-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-[2-(2,4-dichloro-5-methyl-phenyl)sulfanylacetyl]-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[2-[(2,4-dichloro-5-methylphenyl)thio]-1-oxoethyl]-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-[2-(2,4-dichloro-5-methylphenyl)sulfanylacetyl]-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-[2-[(2,4-dichloro-5-methyl-phenyl)thio]acetyl]-1,4-diazepan-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C24H29Cl2N3O2S MolecularWeight: 494.47696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=O)CSC3=C(C=C(C(=C3)C)Cl)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=O)CSC3=C(C=C(C(=C3)C)Cl)Cl

InChI

InChI=1S/C24H29Cl2N3O2S/c1-16-6-4-7-17(2)24(16)27-22(30)14-28-8-5-9-29(11-10-28)23(31)15-32-21-12-18(3)19(25)13-20(21)26/h4,6-7,12-13H,5,8-11,14-15H2,1-3H3,(H,27,30)