9,10,10-tris(oxidanylidene)-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-propan-2-yl-thioxanthene-3-carboxamide

Systemtic Name: 9,10,10-tris(oxidanylidene)-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-propan-2-yl-thioxanthene-3-carboxamide Openeye Name: N-isopropyl-9,10,10-trioxo-N-[(4-oxo-1H-quinazolin-2-yl)methyl]thioxanthene-3-carboxamide CAS Name: 9,10,10-trioxo-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-N-propan-2-yl-3-thioxanthenecarboxamide IUPAC Name: 9,10,10-trioxo-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-N-propan-2-ylthioxanthene-3-carboxamide Traditional Name: N-isopropyl-9,10,10-triketo-N-[(4-keto-1H-quinazolin-2-yl)methyl]thioxanthene-3-carboxamide Formula: C26H21N3O5S MolecularWeight: 487.52704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

CC(C)N(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C26H21N3O5S/c1-15(2)29(14-23-27-20-9-5-3-7-17(20)25(31)28-23)26(32)16-11-12-19-22(13-16)35(33,34)21-10-6-4-8-18(21)24(19)30/h3-13,15H,14H2,1-2H3,(H,27,28,31)