2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(E)-(3-nitrophenyl)methylideneamino]ethanamide

Systemtic Name: 2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(E)-(3-nitrophenyl)methylideneamino]ethanamide Openeye Name: 2-[(2,6-dimethyl-4-quinolyl)sulfanyl]-N-[(E)-(3-nitrophenyl)methyleneamino]acetamide CAS Name: 2-[(2,6-dimethyl-4-quinolinyl)thio]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide IUPAC Name: 2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide Traditional Name: 2-[(2,6-dimethyl-4-quinolyl)thio]-N-[(E)-(3-nitrobenzylidene)amino]acetamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2SCC(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2SCC(=O)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H18N4O3S/c1-13-6-7-18-17(8-13)19(9-14(2)22-18)28-12-20(25)23-21-11-15-4-3-5-16(10-15)24(26)27/h3-11H,12H2,1-2H3,(H,23,25)/b21-11+