2-quinolin-2-ylsulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]ethanamide

Systemtic Name: 2-quinolin-2-ylsulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]ethanamide Openeye Name: 2-(2-quinolylsulfanyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methyleneamino]acetamide CAS Name: 2-(2-quinolinylthio)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-quinolin-2-ylsulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide Traditional Name: 2-(2-quinolylthio)-N-[(E)-(3,4,5-trimethoxybenzylidene)amino]acetamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=NNC(=O)CSC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=N/NC(=O)CSC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H21N3O4S/c1-26-17-10-14(11-18(27-2)21(17)28-3)12-22-24-19(25)13-29-20-9-8-15-6-4-5-7-16(15)23-20/h4-12H,13H2,1-3H3,(H,24,25)/b22-12+