N-[(E)-(2-chloranyl-7-methoxy-quinolin-3-yl)methylideneamino]-2-[(4-nitrophenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[(E)-(2-chloranyl-7-methoxy-quinolin-3-yl)methylideneamino]-2-[(4-nitrophenyl)methylsulfanyl]ethanamide Openeye Name: N-[(E)-(2-chloro-7-methoxy-3-quinolyl)methyleneamino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide CAS Name: N-[(E)-(2-chloro-7-methoxy-3-quinolinyl)methylideneamino]-2-[(4-nitrophenyl)methylthio]acetamide IUPAC Name: N-[(E)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-[(E)-(2-chloro-7-methoxy-3-quinolyl)methyleneamino]-2-[(4-nitrobenzyl)thio]acetamide Formula: C20H17ClN4O4S MolecularWeight: 444.89138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)C=NNC(=O)CSCC3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)/C=N/NC(=O)CSCC3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H17ClN4O4S/c1-29-17-7-4-14-8-15(20(21)23-18(14)9-17)10-22-24-19(26)12-30-11-13-2-5-16(6-3-13)25(27)28/h2-10H,11-12H2,1H3,(H,24,26)/b22-10+