N-[3-(2-fluoranylphenoxy)propyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[3-(2-fluoranylphenoxy)propyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[3-(2-fluorophenoxy)propyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[3-(2-fluorophenoxy)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[3-(2-fluorophenoxy)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[3-(2-fluorophenoxy)propyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C18H16FN3O3S MolecularWeight: 373.401343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16FN3O3S/c19-13-4-1-2-5-15(13)25-9-3-8-20-16(23)11-6-7-12-14(10-11)21-18(26)22-17(12)24/h1-2,4-7,10H,3,8-9H2,(H,20,23)(H2,21,22,24,26)