N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-2-phenylsulfanyl-acetamide CAS Name: N-[4-[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]phenyl]-2-(phenylthio)acetamide IUPAC Name: N-[4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]phenyl]-2-phenylsulfanylacetamide Traditional Name: N-[4-[4-(3,3-dimethylbutanoyl)piperazino]phenyl]-2-(phenylthio)acetamide Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O2S/c1-24(2,3)17-23(29)27-15-13-26(14-16-27)20-11-9-19(10-12-20)25-22(28)18-30-21-7-5-4-6-8-21/h4-12H,13-18H2,1-3H3,(H,25,28)