N-(3-chloranyl-2-morpholin-4-yl-phenyl)-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(3-chloranyl-2-morpholin-4-yl-phenyl)-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3-chloro-2-morpholino-phenyl)-3-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[3-chloro-2-(4-morpholinyl)phenyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-chloro-2-morpholin-4-ylphenyl)-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(3-chloro-2-morpholino-phenyl)-4-keto-3-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H25ClN4O4S MolecularWeight: 488.987

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=C(C(=CC=C3)Cl)N4CCOCC4)NC1=S

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=C(C(=CC=C3)Cl)N4CCOCC4)NC1=S

InChI

InChI=1S/C23H25ClN4O4S/c1-31-11-3-8-28-22(30)16-7-6-15(14-19(16)26-23(28)33)21(29)25-18-5-2-4-17(24)20(18)27-9-12-32-13-10-27/h2,4-7,14H,3,8-13H2,1H3,(H,25,29)(H,26,33)