N-[6-[4-[(5-acetamido-2-methoxy-phenyl)amino]-4-oxidanylidene-butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide

Systemtic Name: N-[6-[4-[(5-acetamido-2-methoxy-phenyl)amino]-4-oxidanylidene-butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide Openeye Name: N-[6-[4-(5-acetamido-2-methoxy-anilino)-4-oxo-butyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide CAS Name: N-[6-[[4-(5-acetamido-2-methoxyanilino)-4-oxobutyl]thio]-3-pyridazinyl]cyclopropanecarboxamide IUPAC Name: N-[6-[4-(5-acetamido-2-methoxyanilino)-4-oxobutyl]sulfanylpyridazin-3-yl]cyclopropanecarboxamide Traditional Name: N-[6-[[4-(5-acetamido-2-methoxy-anilino)-4-keto-butyl]thio]pyridazin-3-yl]cyclopropanecarboxamide Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CCCSC2=NN=C(C=C2)NC(=O)C3CC3

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CCCSC2=NN=C(C=C2)NC(=O)C3CC3

InChI

InChI=1S/C21H25N5O4S/c1-13(27)22-15-7-8-17(30-2)16(12-15)23-19(28)4-3-11-31-20-10-9-18(25-26-20)24-21(29)14-5-6-14/h7-10,12,14H,3-6,11H2,1-2H3,(H,22,27)(H,23,28)(H,24,25,29)