N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-[(isopropylcarbamoylamino)methyl]benzamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-4-[(isopropylcarbamoylamino)methyl]benzamide Formula: C21H26FN3O2S MolecularWeight: 403.513443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NCCSCC2=CC=CC=C2F

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NCCSCC2=CC=CC=C2F

InChI

InChI=1S/C21H26FN3O2S/c1-15(2)25-21(27)24-13-16-7-9-17(10-8-16)20(26)23-11-12-28-14-18-5-3-4-6-19(18)22/h3-10,15H,11-14H2,1-2H3,(H,23,26)(H2,24,25,27)