3-ethyl-N-[3-[2-(ethylamino)-2-oxidanylidene-ethoxy]phenyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-ethyl-N-[3-[2-(ethylamino)-2-oxidanylidene-ethoxy]phenyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-ethyl-N-[3-[2-(ethylamino)-2-oxo-ethoxy]phenyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-ethyl-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-ethyl-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-ethyl-N-[3-[2-(ethylamino)-2-keto-ethoxy]phenyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)COC1=CC=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC

Isomeric SMILES

CCNC(=O)COC1=CC=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC

InChI

InChI=1S/C21H22N4O4S/c1-3-22-18(26)12-29-15-7-5-6-14(11-15)23-19(27)13-8-9-16-17(10-13)24-21(30)25(4-2)20(16)28/h5-11H,3-4,12H2,1-2H3,(H,22,26)(H,23,27)(H,24,30)