N-[(4-methylphenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide

Systemtic Name: N-[(4-methylphenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide Openeye Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(p-tolylmethyl)quinoline-4-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-4-quinolinecarboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide Traditional Name: N-(4-methylbenzyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]cinchoninamide Formula: C21H18N4OS2 MolecularWeight: 406.52382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=NN=C(S4)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)SC4=NN=C(S4)C

InChI

InChI=1S/C21H18N4OS2/c1-13-7-9-15(10-8-13)12-22-20(26)17-11-19(28-21-25-24-14(2)27-21)23-18-6-4-3-5-16(17)18/h3-11H,12H2,1-2H3,(H,22,26)