2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)-5-(propylcarbamothioylamino)benzoic acid

Systemtic Name: 2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)-5-(propylcarbamothioylamino)benzoic acid Openeye Name: 2-(3-hydroxy-6-oxo-xanthen-9-yl)-5-(propylcarbamothioylamino)benzoic acid CAS Name: 2-(3-hydroxy-6-oxo-9-xanthenyl)-5-[[propylamino(sulfanylidene)methyl]amino]benzoic acid IUPAC Name: 2-(3-hydroxy-6-oxoxanthen-9-yl)-5-(propylcarbamothioylamino)benzoic acid Traditional Name: 2-(3-hydroxy-6-keto-xanthen-9-yl)-5-(propylthiocarbamoylamino)benzoic acid Formula: C24H20N2O5S MolecularWeight: 448.491

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC1=CC(=C(C=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O

Isomeric SMILES

CCCNC(=S)NC1=CC(=C(C=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O

InChI

InChI=1S/C24H20N2O5S/c1-2-9-25-24(32)26-13-3-6-16(19(10-13)23(29)30)22-17-7-4-14(27)11-20(17)31-21-12-15(28)5-8-18(21)22/h3-8,10-12,27H,2,9H2,1H3,(H,29,30)(H2,25,26,32)