N-[4-[(3,5-dimethoxyphenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[4-[(3,5-dimethoxyphenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide Openeye Name: N-[4-[(3,5-dimethoxyphenyl)methylsulfanylmethyl]thiazol-2-yl]-9H-xanthene-9-carboxamide CAS Name: N-[4-[[(3,5-dimethoxyphenyl)methylthio]methyl]-2-thiazolyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[4-[(3,5-dimethoxyphenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide Traditional Name: N-[4-[[(3,5-dimethoxybenzyl)thio]methyl]thiazol-2-yl]-9H-xanthene-9-carboxamide Formula: C27H24N2O4S2 MolecularWeight: 504.62046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CSCC2=CSC(=N2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CSCC2=CSC(=N2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)OC

InChI

InChI=1S/C27H24N2O4S2/c1-31-19-11-17(12-20(13-19)32-2)14-34-15-18-16-35-27(28-18)29-26(30)25-21-7-3-5-9-23(21)33-24-10-6-4-8-22(24)25/h3-13,16,25H,14-15H2,1-2H3,(H,28,29,30)