methyl 2-[[2-(3-chlorophenyl)quinolin-4-yl]carbonylamino]-5-propyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-(3-chlorophenyl)quinolin-4-yl]carbonylamino]-5-propyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3-chlorophenyl)quinoline-4-carbonyl]amino]-5-propyl-thiophene-3-carboxylate CAS Name: 2-[[[2-(3-chlorophenyl)-4-quinolinyl]-oxomethyl]amino]-5-propyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-chlorophenyl)quinoline-4-carbonyl]amino]-5-propylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-chlorophenyl)quinoline-4-carbonyl]amino]-5-propyl-thiophene-3-carboxylic acid methyl ester Formula: C25H21ClN2O3S MolecularWeight: 464.96384

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Cl)C(=O)OC

Isomeric SMILES

CCCC1=CC(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Cl)C(=O)OC

InChI

InChI=1S/C25H21ClN2O3S/c1-3-7-17-13-20(25(30)31-2)24(32-17)28-23(29)19-14-22(15-8-6-9-16(26)12-15)27-21-11-5-4-10-18(19)21/h4-6,8-14H,3,7H2,1-2H3,(H,28,29)