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

Systemtic Name: N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-phenylsulfanyl-acetamide CAS Name: N-[4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-2-(phenylthio)acetamide IUPAC Name: N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-phenylsulfanylacetamide Traditional Name: N-[4-(4-isovalerylpiperazino)phenyl]-2-(phenylthio)acetamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S/c1-18(2)16-23(28)26-14-12-25(13-15-26)20-10-8-19(9-11-20)24-22(27)17-29-21-6-4-3-5-7-21/h3-11,18H,12-17H2,1-2H3,(H,24,27)