5-[2-[2-(4-methylphenoxy)ethanoylamino]ethylcarbamothioylamino]-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid

Systemtic Name: 5-[2-[2-(4-methylphenoxy)ethanoylamino]ethylcarbamothioylamino]-2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 2-(3-hydroxy-6-oxo-xanthen-9-yl)-5-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylcarbamothioylamino]benzoic acid CAS Name: 2-(3-hydroxy-6-oxo-9-xanthenyl)-5-[[[2-[[2-(4-methylphenoxy)-1-oxoethyl]amino]ethylamino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-(3-hydroxy-6-oxoxanthen-9-yl)-5-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylcarbamothioylamino]benzoic acid Traditional Name: 2-(3-hydroxy-6-keto-xanthen-9-yl)-5-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylthiocarbamoylamino]benzoic acid Formula: C32H27N3O7S MolecularWeight: 597.63768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)NCCNC(=S)NC2=CC(=C(C=C2)C3=C4C=CC(=O)C=C4OC5=C3C=CC(=C5)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)NCCNC(=S)NC2=CC(=C(C=C2)C3=C4C=CC(=O)C=C4OC5=C3C=CC(=C5)O)C(=O)O

InChI

InChI=1S/C32H27N3O7S/c1-18-2-7-22(8-3-18)41-17-29(38)33-12-13-34-32(43)35-19-4-9-23(26(14-19)31(39)40)30-24-10-5-20(36)15-27(24)42-28-16-21(37)6-11-25(28)30/h2-11,14-16,36H,12-13,17H2,1H3,(H,33,38)(H,39,40)(H2,34,35,43)