N-(1,3-benzothiazol-2-yl)-4-[3-(3,4-dimethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-[3-(3,4-dimethoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-[3-(3,4-dimethoxyphenyl)-6-oxo-pyridazin-1-yl]butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-[3-(3,4-dimethoxyphenyl)-6-oxo-1-pyridazinyl]butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-[3-(3,4-dimethoxyphenyl)-6-keto-pyridazin-1-yl]butyramide Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CCCC(=O)NC3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C23H22N4O4S/c1-30-18-11-9-15(14-19(18)31-2)16-10-12-22(29)27(26-16)13-5-8-21(28)25-23-24-17-6-3-4-7-20(17)32-23/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3,(H,24,25,28)