N-[(E)-(2-chloranyl-7-methoxy-quinolin-3-yl)methylideneamino]-2-phenylsulfanyl-propanamide

Systemtic Name: N-[(E)-(2-chloranyl-7-methoxy-quinolin-3-yl)methylideneamino]-2-phenylsulfanyl-propanamide Openeye Name: N-[(E)-(2-chloro-7-methoxy-3-quinolyl)methyleneamino]-2-phenylsulfanyl-propanamide CAS Name: N-[(E)-(2-chloro-7-methoxy-3-quinolinyl)methylideneamino]-2-(phenylthio)propanamide IUPAC Name: N-[(E)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]-2-phenylsulfanylpropanamide Traditional Name: N-[(E)-(2-chloro-7-methoxy-3-quinolyl)methyleneamino]-2-(phenylthio)propionamide Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NN=CC1=C(N=C2C=C(C=CC2=C1)OC)Cl)SC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N/N=C/C1=C(N=C2C=C(C=CC2=C1)OC)Cl)SC3=CC=CC=C3

InChI

InChI=1S/C20H18ClN3O2S/c1-13(27-17-6-4-3-5-7-17)20(25)24-22-12-15-10-14-8-9-16(26-2)11-18(14)23-19(15)21/h3-13H,1-2H3,(H,24,25)/b22-12+