3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-methoxypropyl)-4-oxo-2-thioxo-N-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide CAS Name: 3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-(3-methoxypropyl)-2-thioxo-N-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Formula: C20H18F3N3O3S MolecularWeight: 437.43543

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)NC1=S

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)NC1=S

InChI

InChI=1S/C20H18F3N3O3S/c1-29-9-3-8-26-18(28)15-7-6-12(10-16(15)25-19(26)30)17(27)24-14-5-2-4-13(11-14)20(21,22)23/h2,4-7,10-11H,3,8-9H2,1H3,(H,24,27)(H,25,30)