N-[1-(3-fluoranyl-4-methoxy-phenyl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[1-(3-fluoranyl-4-methoxy-phenyl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[1-(3-fluoro-4-methoxy-phenyl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[1-(3-fluoro-4-methoxy-phenyl)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C18H16FN3O3S MolecularWeight: 373.401343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)F)NC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3

Isomeric SMILES

CC(C1=CC(=C(C=C1)OC)F)NC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3

InChI

InChI=1S/C18H16FN3O3S/c1-9(10-4-6-15(25-2)13(19)7-10)20-16(23)11-3-5-12-14(8-11)21-18(26)22-17(12)24/h3-9H,1-2H3,(H,20,23)(H2,21,22,24,26)