(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3-(aminocarbonylamino)-3-(2-chlorophenyl)propanoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3-(aminocarbonylamino)-3-(2-chlorophenyl)propanoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 3-(2-chlorophenyl)-3-ureido-propanoate CAS Name: 3-(carbamoylamino)-3-(2-chlorophenyl)propanoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 3-(carbamoylamino)-3-(2-chlorophenyl)propanoate Traditional Name: 3-(2-chlorophenyl)-3-ureido-propionic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C21H19Cl2N3O3S MolecularWeight: 464.36486

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)CC(C3=CC=CC=C3Cl)NC(=O)N)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)CC(C3=CC=CC=C3Cl)NC(=O)N)Cl

InChI

InChI=1S/C21H19Cl2N3O3S/c1-30-14-7-6-12-8-13(20(23)25-17(12)9-14)11-29-19(27)10-18(26-21(24)28)15-4-2-3-5-16(15)22/h2-9,18H,10-11H2,1H3,(H3,24,26,28)