N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-2-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-2-(phenylmethylsulfanyl)propanamide Openeye Name: 2-benzylsulfanyl-N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]propanamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]-2-(phenylmethylthio)propanamide IUPAC Name: 2-benzylsulfanyl-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]propanamide Traditional Name: 2-(benzylthio)-N-[4-(4-ethylpiperazino)-2-methyl-phenyl]propionamide Formula: C23H31N3OS MolecularWeight: 397.57674

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C(C)SCC3=CC=CC=C3)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C(C)SCC3=CC=CC=C3)C

InChI

InChI=1S/C23H31N3OS/c1-4-25-12-14-26(15-13-25)21-10-11-22(18(2)16-21)24-23(27)19(3)28-17-20-8-6-5-7-9-20/h5-11,16,19H,4,12-15,17H2,1-3H3,(H,24,27)