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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=C1SC3=CC=CC=C32)CCCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=O)C2=C1SC3=CC=CC=C32)CCCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H26N4O2S/c1-18-24-23(20-10-5-6-11-21(20)32-24)25(31)29(26-18)13-7-12-22(30)28-16-14-27(15-17-28)19-8-3-2-4-9-19/h2-6,8-11H,7,12-17H2,1H3