N-[[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]carbamothioyl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]carbamothioyl]-9H-xanthene-9-carboxamide Openeye Name: N-[[(5-methyl-3-phenyl-isoxazole-4-carbonyl)amino]carbamothioyl]-9H-xanthene-9-carboxamide CAS Name: N-[[[(5-methyl-3-phenyl-4-isoxazolyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]carbamothioyl]-9H-xanthene-9-carboxamide Traditional Name: N-[[(5-methyl-3-phenyl-isoxazole-4-carbonyl)amino]thiocarbamoyl]-9H-xanthene-9-carboxamide Formula: C26H20N4O4S MolecularWeight: 484.5264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NNC(=S)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NNC(=S)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C26H20N4O4S/c1-15-21(23(30-34-15)16-9-3-2-4-10-16)25(32)28-29-26(35)27-24(31)22-17-11-5-7-13-19(17)33-20-14-8-6-12-18(20)22/h2-14,22H,1H3,(H,28,32)(H2,27,29,31,35)