N-(5-acetamido-2-methoxy-phenyl)-4-(6-oxidanylidene-3-thiophen-2-yl-pyridazin-1-yl)butanamide

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-4-(6-oxidanylidene-3-thiophen-2-yl-pyridazin-1-yl)butanamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-4-[6-oxo-3-(2-thienyl)pyridazin-1-yl]butanamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-4-(6-oxo-3-thiophen-2-yl-1-pyridazinyl)butanamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-4-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)butanamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-4-[6-keto-3-(2-thienyl)pyridazin-1-yl]butyramide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=CS3

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CCCN2C(=O)C=CC(=N2)C3=CC=CS3

InChI

InChI=1S/C21H22N4O4S/c1-14(26)22-15-7-9-18(29-2)17(13-15)23-20(27)6-3-11-25-21(28)10-8-16(24-25)19-5-4-12-30-19/h4-5,7-10,12-13H,3,6,11H2,1-2H3,(H,22,26)(H,23,27)