1-[4-(4-butylphenyl)carbonyl-3-methyl-piperazin-1-yl]-2-(6-phenylpyridazin-3-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(4-butylphenyl)carbonyl-3-methyl-piperazin-1-yl]-2-(6-phenylpyridazin-3-yl)sulfanyl-ethanone Openeye Name: 1-[4-(4-butylbenzoyl)-3-methyl-piperazin-1-yl]-2-(6-phenylpyridazin-3-yl)sulfanyl-ethanone CAS Name: 1-[4-[(4-butylphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-[(6-phenyl-3-pyridazinyl)thio]ethanone IUPAC Name: 1-[4-(4-butylbenzoyl)-3-methylpiperazin-1-yl]-2-(6-phenylpyridazin-3-yl)sulfanylethanone Traditional Name: 1-[4-(4-butylbenzoyl)-3-methyl-piperazino]-2-[(6-phenylpyridazin-3-yl)thio]ethanone Formula: C28H32N4O2S MolecularWeight: 488.64428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)CSC3=NN=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)CSC3=NN=C(C=C3)C4=CC=CC=C4

InChI

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