N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]propanamide

Systemtic Name: N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]propanamide Openeye Name: 3-phenyl-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]propanamide CAS Name: N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3-phenylpropanamide IUPAC Name: N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]propanamide Traditional Name: 3-phenyl-N-[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]propionamide Formula: C26H22F3N5O2S MolecularWeight: 525.54539

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C(CC3=CC=CC=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C(CC3=CC=CC=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C26H22F3N5O2S/c1-16-7-9-18(10-8-16)23-33-34-25(37-23)32-22(35)21(15-17-5-3-2-4-6-17)31-24(36)30-20-13-11-19(12-14-20)26(27,28)29/h2-14,21H,15H2,1H3,(H2,30,31,36)(H,32,34,35)