2-(butylcarbamoylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide

Systemtic Name: 2-(butylcarbamoylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide Openeye Name: 2-(butylcarbamoylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-propanamide CAS Name: 2-[[butylamino(oxo)methyl]amino]-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide IUPAC Name: 2-(butylcarbamoylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide Traditional Name: 2-(butylcarbamoylamino)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-propionamide Formula: C22H24FN5O2S MolecularWeight: 441.521663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCNC(=O)NC(CC1=CC=CC=C1)C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H24FN5O2S/c1-2-3-13-24-21(30)25-18(14-15-7-5-4-6-8-15)19(29)26-22-28-27-20(31-22)16-9-11-17(23)12-10-16/h4-12,18H,2-3,13-14H2,1H3,(H2,24,25,30)(H,26,28,29)