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

Systemtic Name: 4-methyl-2-[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)butan-2-yl]-[1]benzothiolo[2,3-d]pyridazin-1-one Openeye Name: 4-methyl-2-[1-(4-phenylpiperazine-1-carbonyl)propyl]benzothiopheno[2,3-d]pyridazin-1-one CAS Name: 4-methyl-2-[1-oxo-1-(4-phenyl-1-piperazinyl)butan-2-yl]-[1]benzothiolo[2,3-d]pyridazin-1-one IUPAC Name: 4-methyl-2-[1-oxo-1-(4-phenylpiperazin-1-yl)butan-2-yl]-[1]benzothiolo[2,3-d]pyridazin-1-one Traditional Name: 4-methyl-2-[1-(4-phenylpiperazine-1-carbonyl)propyl]benzothiopheno[2,3-d]pyridazin-1-one Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)C2=CC=CC=C2)N3C(=O)C4=C(C(=N3)C)SC5=CC=CC=C54

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)C2=CC=CC=C2)N3C(=O)C4=C(C(=N3)C)SC5=CC=CC=C54

InChI

InChI=1S/C25H26N4O2S/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/h4-12,20H,3,13-16H2,1-2H3