[1-[(2-methylquinolin-4-yl)amino]-1-oxidanylidene-butan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: [1-[(2-methylquinolin-4-yl)amino]-1-oxidanylidene-butan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: 1-[(2-methyl-4-quinolyl)carbamoyl]propyl 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [1-[(2-methyl-4-quinolinyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(2-methylquinolin-4-yl)amino]-1-oxobutan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid 1-[(2-methyl-4-quinolyl)carbamoyl]propyl ester Formula: C28H23N3O3S MolecularWeight: 481.56552

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=NC2=CC=CC=C21)C)OC(=O)C3=CC=CC=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCC(C(=O)NC1=CC(=NC2=CC=CC=C21)C)OC(=O)C3=CC=CC=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C28H23N3O3S/c1-3-24(26(32)30-23-16-17(2)29-21-13-7-6-12-20(21)23)34-28(33)19-11-5-4-10-18(19)27-31-22-14-8-9-15-25(22)35-27/h4-16,24H,3H2,1-2H3,(H,29,30,32)