N-(4-fluorophenyl)-5-[[(phenylmethyl)-propyl-amino]methyl]-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: N-(4-fluorophenyl)-5-[[(phenylmethyl)-propyl-amino]methyl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[[benzyl(propyl)amino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: N-(4-fluorophenyl)-5-[[(phenylmethyl)-propylamino]methyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-[[benzyl(propyl)amino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[[benzyl(propyl)amino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide Formula: C20H21FN4OS MolecularWeight: 384.470343

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)CC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CCCN(CC1=CC=CC=C1)CC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN4OS/c1-2-12-25(13-15-6-4-3-5-7-15)14-18-23-24-20(27-18)19(26)22-17-10-8-16(21)9-11-17/h3-11H,2,12-14H2,1H3,(H,22,26)