3-[6-(4-chlorophenyl)sulfanyl-2-(4-methoxyphenyl)-3-oxidanylidene-pyridazin-4-yl]-N-(2-oxidanylideneazepan-3-yl)propanamide

Systemtic Name: 3-[6-(4-chlorophenyl)sulfanyl-2-(4-methoxyphenyl)-3-oxidanylidene-pyridazin-4-yl]-N-(2-oxidanylideneazepan-3-yl)propanamide Openeye Name: 3-[6-(4-chlorophenyl)sulfanyl-2-(4-methoxyphenyl)-3-oxo-pyridazin-4-yl]-N-(2-oxoazepan-3-yl)propanamide CAS Name: 3-[6-[(4-chlorophenyl)thio]-2-(4-methoxyphenyl)-3-oxo-4-pyridazinyl]-N-(2-oxo-3-azepanyl)propanamide IUPAC Name: 3-[6-(4-chlorophenyl)sulfanyl-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]-N-(2-oxoazepan-3-yl)propanamide Traditional Name: 3-[6-[(4-chlorophenyl)thio]-3-keto-2-(4-methoxyphenyl)pyridazin-4-yl]-N-(2-ketoazepan-3-yl)propionamide Formula: C26H27ClN4O4S MolecularWeight: 527.03498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C(=CC(=N2)SC3=CC=C(C=C3)Cl)CCC(=O)NC4CCCCNC4=O

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C(=CC(=N2)SC3=CC=C(C=C3)Cl)CCC(=O)NC4CCCCNC4=O

InChI

InChI=1S/C26H27ClN4O4S/c1-35-20-10-8-19(9-11-20)31-26(34)17(16-24(30-31)36-21-12-6-18(27)7-13-21)5-14-23(32)29-22-4-2-3-15-28-25(22)33/h6-13,16,22H,2-5,14-15H2,1H3,(H,28,33)(H,29,32)