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

Systemtic Name: N-[4-(4-fluoranylphenoxy)butyl]-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-[4-(4-fluorophenoxy)butyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[4-(4-fluorophenoxy)butyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[4-(4-fluorophenoxy)butyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-[4-(4-fluorophenoxy)butyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H22FN3O3S MolecularWeight: 427.491783

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCCCOC3=CC=C(C=C3)F)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCCCOC3=CC=C(C=C3)F)NC1=S

InChI

InChI=1S/C22H22FN3O3S/c1-2-12-26-21(28)18-10-5-15(14-19(18)25-22(26)30)20(27)24-11-3-4-13-29-17-8-6-16(23)7-9-17/h2,5-10,14H,1,3-4,11-13H2,(H,24,27)(H,25,30)