3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3-methoxypropyl)benzamide

Systemtic Name: 3-(7-chloranyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3-methoxypropyl)benzamide Openeye Name: 3-(7-chloro-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-(3-methoxypropyl)benzamide CAS Name: 3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3-methoxypropyl)benzamide IUPAC Name: 3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3-methoxypropyl)benzamide Traditional Name: 3-(7-chloro-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(3-methoxypropyl)benzamide Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)NC2=S

Isomeric SMILES

COCCCNC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)NC2=S

InChI

InChI=1S/C19H18ClN3O3S/c1-26-9-3-8-21-17(24)12-4-2-5-14(10-12)23-18(25)15-7-6-13(20)11-16(15)22-19(23)27/h2,4-7,10-11H,3,8-9H2,1H3,(H,21,24)(H,22,27)