3-[3,6-bis(oxidanylidene)-1H-pyridazin-2-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(phenylmethyl)propanamide

Systemtic Name: 3-[3,6-bis(oxidanylidene)-1H-pyridazin-2-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-benzyl-3-(3,6-diketo-1H-pyridazin-2-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propionamide Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CCN4C(=O)C=CC(=O)N4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CCN4C(=O)C=CC(=O)N4

InChI

InChI=1S/C22H20N4O4S/c1-30-16-7-8-17-18(13-16)31-22(23-17)25(14-15-5-3-2-4-6-15)20(28)11-12-26-21(29)10-9-19(27)24-26/h2-10,13H,11-12,14H2,1H3,(H,24,27)