4-(quinolin-8-ylsulfanylmethyl)-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide

Systemtic Name: 4-(quinolin-8-ylsulfanylmethyl)-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide Openeye Name: 4-(8-quinolylsulfanylmethyl)-N-[(E)-(2,4,5-trimethoxyphenyl)methyleneamino]benzamide CAS Name: 4-[(8-quinolinylthio)methyl]-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide IUPAC Name: 4-(quinolin-8-ylsulfanylmethyl)-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide Traditional Name: 4-[(8-quinolylthio)methyl]-N-[(E)-(2,4,5-trimethoxybenzylidene)amino]benzamide Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=NNC(=O)C2=CC=C(C=C2)CSC3=CC=CC4=C3N=CC=C4)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1/C=N/NC(=O)C2=CC=C(C=C2)CSC3=CC=CC4=C3N=CC=C4)OC)OC

InChI

InChI=1S/C27H25N3O4S/c1-32-22-15-24(34-3)23(33-2)14-21(22)16-29-30-27(31)20-11-9-18(10-12-20)17-35-25-8-4-6-19-7-5-13-28-26(19)25/h4-16H,17H2,1-3H3,(H,30,31)/b29-16+