2-[2-[[5-[2-azanyl-4-(2-chloranyl-6-fluoranyl-phenyl)-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoylamino]benzamide

Systemtic Name: 2-[2-[[5-[2-azanyl-4-(2-chloranyl-6-fluoranyl-phenyl)-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: 2-[[2-[[5-[2-amino-4-(2-chloro-6-fluoro-phenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzamide CAS Name: 2-[[2-[[5-[2-amino-4-(2-chloro-6-fluorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-[[5-[2-amino-4-(2-chloro-6-fluorophenyl)-3-cyano-5-oxo-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzamide Traditional Name: 2-[[2-[[5-[2-amino-4-(2-chloro-6-fluoro-phenyl)-3-cyano-5-keto-4,6,7,8-tetrahydroquinolin-1-yl]-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]benzamide Formula: C27H21ClFN7O3S2 MolecularWeight: 610.082143

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2C3=NN=C(S3)SCC(=O)NC4=CC=CC=C4C(=O)N)N)C#N)C5=C(C=CC=C5Cl)F)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(N2C3=NN=C(S3)SCC(=O)NC4=CC=CC=C4C(=O)N)N)C#N)C5=C(C=CC=C5Cl)F)C(=O)C1

InChI

InChI=1S/C27H21ClFN7O3S2/c28-15-6-3-7-16(29)22(15)21-14(11-30)24(31)36(18-9-4-10-19(37)23(18)21)26-34-35-27(41-26)40-12-20(38)33-17-8-2-1-5-13(17)25(32)39/h1-3,5-8,21H,4,9-10,12,31H2,(H2,32,39)(H,33,38)