N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]-2-propan-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]-2-propan-2-yl-quinoline-4-carboxamide Openeye Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-isopropyl-quinoline-4-carboxamide CAS Name: N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]-2-propan-2-yl-4-quinolinecarboxamide IUPAC Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylquinoline-4-carboxamide Traditional Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-isopropyl-cinchoninamide Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4

InChI

InChI=1S/C22H20N4OS/c1-14(2)19-13-17(16-10-6-7-11-18(16)23-19)21(27)24-22-26-25-20(28-22)12-15-8-4-3-5-9-15/h3-11,13-14H,12H2,1-2H3,(H,24,26,27)