[1-oxidanylidene-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl] 2-methylquinoline-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl] 2-methylquinoline-4-carboxylate Openeye Name: 1-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]propyl 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [1-oxo-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl] ester IUPAC Name: [1-oxo-1-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid 1-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoyl]propyl ester Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(S1)NC(=O)C(CC)OC(=O)C2=CC(=NC3=CC=CC=C32)C

Isomeric SMILES

CCCC1=NN=C(S1)NC(=O)C(CC)OC(=O)C2=CC(=NC3=CC=CC=C32)C

InChI

InChI=1S/C20H22N4O3S/c1-4-8-17-23-24-20(28-17)22-18(25)16(5-2)27-19(26)14-11-12(3)21-15-10-7-6-9-13(14)15/h6-7,9-11,16H,4-5,8H2,1-3H3,(H,22,24,25)