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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-(3-chloro-4-methoxyphenyl)-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)Cl

InChI

InChI=1S/C18H16ClN3O3S/c1-25-15-7-6-11(10-13(15)19)20-16(23)8-9-22-17(24)12-4-2-3-5-14(12)21-18(22)26/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,26)