4-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)-N1,N3-bis(2-sulfanylethyl)benzene-1,3-dicarboxamide

Systemtic Name: 4-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)-N1,N3-bis(2-sulfanylethyl)benzene-1,3-dicarboxamide Openeye Name: 4-(3-hydroxy-6-oxo-xanthen-9-yl)-N1,N3-bis(2-sulfanylethyl)benzene-1,3-dicarboxamide CAS Name: 4-(3-hydroxy-6-oxo-9-xanthenyl)-N1,N3-bis(2-mercaptoethyl)benzene-1,3-dicarboxamide IUPAC Name: 4-(3-hydroxy-6-oxoxanthen-9-yl)-1-N,3-N-bis(2-sulfanylethyl)benzene-1,3-dicarboxamide Traditional Name: 4-(3-hydroxy-6-keto-xanthen-9-yl)-N,N'-bis(2-mercaptoethyl)isophthalamide Formula: C25H22N2O5S2 MolecularWeight: 494.58258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NCCS)C(=O)NCCS)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NCCS)C(=O)NCCS)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O

InChI

InChI=1S/C25H22N2O5S2/c28-15-2-5-18-21(12-15)32-22-13-16(29)3-6-19(22)23(18)17-4-1-14(24(30)26-7-9-33)11-20(17)25(31)27-8-10-34/h1-6,11-13,28,33-34H,7-10H2,(H,26,30)(H,27,31)