2-[1-(4-cyclohexylpiperazin-1-yl)-1-oxidanylidene-butan-2-yl]-4-methyl-[1]benzothiolo[2,3-d]pyridazin-1-one

Systemtic Name: 2-[1-(4-cyclohexylpiperazin-1-yl)-1-oxidanylidene-butan-2-yl]-4-methyl-[1]benzothiolo[2,3-d]pyridazin-1-one Openeye Name: 2-[1-(4-cyclohexylpiperazine-1-carbonyl)propyl]-4-methyl-benzothiopheno[2,3-d]pyridazin-1-one CAS Name: 2-[1-(4-cyclohexyl-1-piperazinyl)-1-oxobutan-2-yl]-4-methyl-[1]benzothiolo[2,3-d]pyridazin-1-one IUPAC Name: 2-[1-(4-cyclohexylpiperazin-1-yl)-1-oxobutan-2-yl]-4-methyl-[1]benzothiolo[2,3-d]pyridazin-1-one Traditional Name: 2-[1-(4-cyclohexylpiperazine-1-carbonyl)propyl]-4-methyl-benzothiopheno[2,3-d]pyridazin-1-one Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)C2CCCCC2)N3C(=O)C4=C(C(=N3)C)SC5=CC=CC=C54

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)C2CCCCC2)N3C(=O)C4=C(C(=N3)C)SC5=CC=CC=C54

InChI

InChI=1S/C25H32N4O2S/c1-3-20(24(30)28-15-13-27(14-16-28)18-9-5-4-6-10-18)29-25(31)22-19-11-7-8-12-21(19)32-23(22)17(2)26-29/h7-8,11-12,18,20H,3-6,9-10,13-16H2,1-2H3