N-(3-chloranyl-4-methoxy-phenyl)-4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)butanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)butanamide CAS Name: N-(3-chloro-4-methoxyphenyl)-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)butanamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-4-(4-keto-2-thioxo-1H-quinazolin-3-yl)butyramide Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCCN2C(=O)C3=CC=CC=C3NC2=S)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCCN2C(=O)C3=CC=CC=C3NC2=S)Cl

InChI

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