2,2-dimethyl-1-[2-methyl-4-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]carbonyl-piperazin-1-yl]propan-1-one

Systemtic Name: 2,2-dimethyl-1-[2-methyl-4-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]phenyl]carbonyl-piperazin-1-yl]propan-1-one Openeye Name: 2,2-dimethyl-1-[2-methyl-4-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]propan-1-one CAS Name: 2,2-dimethyl-1-[2-methyl-4-[oxo-[3-[[(6-phenyl-3-pyridazinyl)thio]methyl]phenyl]methyl]-1-piperazinyl]-1-propanone IUPAC Name: 2,2-dimethyl-1-[2-methyl-4-[3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]propan-1-one Traditional Name: 2,2-dimethyl-1-[2-methyl-4-[3-[[(6-phenylpyridazin-3-yl)thio]methyl]benzoyl]piperazino]propan-1-one Formula: C28H32N4O2S MolecularWeight: 488.64428

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(C)(C)C)C(=O)C2=CC(=CC=C2)CSC3=NN=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1C(=O)C(C)(C)C)C(=O)C2=CC(=CC=C2)CSC3=NN=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H32N4O2S/c1-20-18-31(15-16-32(20)27(34)28(2,3)4)26(33)23-12-8-9-21(17-23)19-35-25-14-13-24(29-30-25)22-10-6-5-7-11-22/h5-14,17,20H,15-16,18-19H2,1-4H3