1-[2-(4-methyl-1-oxidanylidene-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-(4-methyl-1-oxidanylidene-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-(4-methyl-1-oxo-benzothiopheno[2,3-d]pyridazin-2-yl)butanoyl]piperidine-4-carboxamide CAS Name: 1-[2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)-1-oxobutyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)butanoyl]piperidine-4-carboxamide Traditional Name: 1-[2-(1-keto-4-methyl-benzothiopheno[2,3-d]pyridazin-2-yl)butanoyl]isonipecotamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCC(CC1)C(=O)N)N2C(=O)C3=C(C(=N2)C)SC4=CC=CC=C43

Isomeric SMILES

CCC(C(=O)N1CCC(CC1)C(=O)N)N2C(=O)C3=C(C(=N2)C)SC4=CC=CC=C43

InChI

InChI=1S/C21H24N4O3S/c1-3-15(20(27)24-10-8-13(9-11-24)19(22)26)25-21(28)17-14-6-4-5-7-16(14)29-18(17)12(2)23-25/h4-7,13,15H,3,8-11H2,1-2H3,(H2,22,26)