N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(4-methoxy-3-morpholinosulfonyl-phenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-(4-methoxy-3-morpholinosulfonyl-phenyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H20N4O6S2 MolecularWeight: 476.526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H20N4O6S2/c1-29-16-5-3-13(11-17(16)32(27,28)24-6-8-30-9-7-24)21-18(25)12-2-4-14-15(10-12)22-20(31)23-19(14)26/h2-5,10-11H,6-9H2,1H3,(H,21,25)(H2,22,23,26,31)