2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-quinolin-5-yl-propanamide

Systemtic Name: 2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-quinolin-5-yl-propanamide Openeye Name: 2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(5-quinolyl)propanamide CAS Name: 2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]thio]-N-(5-quinolinyl)propanamide IUPAC Name: 2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-quinolin-5-ylpropanamide Traditional Name: 2-[[5-[(4-fluorobenzyl)amino]-1,3,4-thiadiazol-2-yl]thio]-N-(5-quinolyl)propionamide Formula: C21H18FN5OS2 MolecularWeight: 439.528923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NN=C(S3)NCC4=CC=C(C=C4)F

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NN=C(S3)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C21H18FN5OS2/c1-13(19(28)25-18-6-2-5-17-16(18)4-3-11-23-17)29-21-27-26-20(30-21)24-12-14-7-9-15(22)10-8-14/h2-11,13H,12H2,1H3,(H,24,26)(H,25,28)