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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)C=NNC(=O)CCSC3=CC=CC=C3)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)/C=N/NC(=O)CCSC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H18ClN3O2S/c1-26-16-8-7-14-11-15(20(21)23-18(14)12-16)13-22-24-19(25)9-10-27-17-5-3-2-4-6-17/h2-8,11-13H,9-10H2,1H3,(H,24,25)/b22-13+