N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-3-(4-fluorophenyl)sulfanyl-propanamide

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-3-(4-fluorophenyl)sulfanyl-propanamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)-2-methyl-phenyl]-3-(4-fluorophenyl)sulfanyl-propanamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)-2-methylphenyl]-3-[(4-fluorophenyl)thio]propanamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(4-fluorophenyl)sulfanylpropanamide Traditional Name: N-[4-(4-ethylpiperazino)-2-methyl-phenyl]-3-[(4-fluorophenyl)thio]propionamide Formula: C22H28FN3OS MolecularWeight: 401.540623

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CCSC3=CC=C(C=C3)F)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC(=O)CCSC3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H28FN3OS/c1-3-25-11-13-26(14-12-25)19-6-9-21(17(2)16-19)24-22(27)10-15-28-20-7-4-18(23)5-8-20/h4-9,16H,3,10-15H2,1-2H3,(H,24,27)