2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide

Systemtic Name: 2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide Openeye Name: 2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide CAS Name: 2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-N-[2-(phenylthio)phenyl]propanamide IUPAC Name: 2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide Traditional Name: 2-(4-isovalerylpiperazino)-N-[2-(phenylthio)phenyl]propionamide Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C(C)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C(C)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3

InChI

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