3-(aminocarbonylamino)-3-(2-fluorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide

Systemtic Name: 3-(aminocarbonylamino)-3-(2-fluorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide Openeye Name: 3-(2-fluorophenyl)-N-[4-(3-pyridylmethylsulfanyl)phenyl]-3-ureido-propanamide CAS Name: 3-(carbamoylamino)-3-(2-fluorophenyl)-N-[4-(3-pyridinylmethylthio)phenyl]propanamide IUPAC Name: 3-(carbamoylamino)-3-(2-fluorophenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide Traditional Name: 3-(2-fluorophenyl)-N-[4-(3-pyridylmethylthio)phenyl]-3-ureido-propionamide Formula: C22H21FN4O2S MolecularWeight: 424.491143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(CC(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)NC(=O)N)F

Isomeric SMILES

C1=CC=C(C(=C1)C(CC(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)NC(=O)N)F

InChI

InChI=1S/C22H21FN4O2S/c23-19-6-2-1-5-18(19)20(27-22(24)29)12-21(28)26-16-7-9-17(10-8-16)30-14-15-4-3-11-25-13-15/h1-11,13,20H,12,14H2,(H,26,28)(H3,24,27,29)