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

Systemtic Name: 1-[2-(4-methyl-1-oxidanylidene-[1]benzothiolo[2,3-d]pyridazin-2-yl)propanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-(4-methyl-1-oxo-benzothiopheno[2,3-d]pyridazin-2-yl)propanoyl]piperidine-4-carboxamide CAS Name: 1-[2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)-1-oxopropyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)propanoyl]piperidine-4-carboxamide Traditional Name: 1-[2-(1-keto-4-methyl-benzothiopheno[2,3-d]pyridazin-2-yl)propanoyl]isonipecotamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=C1SC3=CC=CC=C32)C(C)C(=O)N4CCC(CC4)C(=O)N

Isomeric SMILES

CC1=NN(C(=O)C2=C1SC3=CC=CC=C32)C(C)C(=O)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C20H22N4O3S/c1-11-17-16(14-5-3-4-6-15(14)28-17)20(27)24(22-11)12(2)19(26)23-9-7-13(8-10-23)18(21)25/h3-6,12-13H,7-10H2,1-2H3,(H2,21,25)