2-quinolin-8-ylsulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]ethanamide

Systemtic Name: 2-quinolin-8-ylsulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]ethanamide Openeye Name: 2-(8-quinolylsulfanyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methyleneamino]acetamide CAS Name: 2-(8-quinolinylthio)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide IUPAC Name: 2-quinolin-8-ylsulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide Traditional Name: 2-(8-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=CC=CC3=C2N=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=N/NC(=O)CSC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-26-16-10-14(11-17(27-2)21(16)28-3)12-23-24-19(25)13-29-18-8-4-6-15-7-5-9-22-20(15)18/h4-12H,13H2,1-3H3,(H,24,25)/b23-12+