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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NN=C(S1)C(C)C)OC(=O)C2=CC(=NC3=CC=CC=C32)C

Isomeric SMILES

CCC(C(=O)NC1=NN=C(S1)C(C)C)OC(=O)C2=CC(=NC3=CC=CC=C32)C

InChI

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