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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-3-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3-chloro-4-methoxyphenyl)-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-4-keto-3-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H20ClN3O4S MolecularWeight: 433.9085

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O4S/c1-27-9-3-8-24-19(26)14-6-4-12(10-16(14)23-20(24)29)18(25)22-13-5-7-17(28-2)15(21)11-13/h4-7,10-11H,3,8-9H2,1-2H3,(H,22,25)(H,23,29)