3-acetamido-4-(4-fluorophenyl)sulfanyl-N-[2-[methyl-(phenylmethyl)amino]ethyl]benzamide

Systemtic Name: 3-acetamido-4-(4-fluorophenyl)sulfanyl-N-[2-[methyl-(phenylmethyl)amino]ethyl]benzamide Openeye Name: 3-acetamido-N-[2-[benzyl(methyl)amino]ethyl]-4-(4-fluorophenyl)sulfanyl-benzamide CAS Name: 3-acetamido-4-[(4-fluorophenyl)thio]-N-[2-[methyl-(phenylmethyl)amino]ethyl]benzamide IUPAC Name: 3-acetamido-N-[2-[benzyl(methyl)amino]ethyl]-4-(4-fluorophenyl)sulfanylbenzamide Traditional Name: 3-acetamido-N-[2-[benzyl(methyl)amino]ethyl]-4-[(4-fluorophenyl)thio]benzamide Formula: C25H26FN3O2S MolecularWeight: 451.556243

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)NCCN(C)CC2=CC=CC=C2)SC3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)NCCN(C)CC2=CC=CC=C2)SC3=CC=C(C=C3)F

InChI

InChI=1S/C25H26FN3O2S/c1-18(30)28-23-16-20(8-13-24(23)32-22-11-9-21(26)10-12-22)25(31)27-14-15-29(2)17-19-6-4-3-5-7-19/h3-13,16H,14-15,17H2,1-2H3,(H,27,31)(H,28,30)