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

Systemtic Name: 3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-N-[4-(trifluoromethyloxy)phenyl]-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-methoxypropyl)-4-oxo-2-thioxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinazoline-7-carboxamide CAS Name: 3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-N-[4-(trifluoromethoxy)phenyl]-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-N-[4-(trifluoromethoxy)phenyl]-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-(3-methoxypropyl)-2-thioxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinazoline-7-carboxamide Formula: C20H18F3N3O4S MolecularWeight: 453.43483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18F3N3O4S/c1-29-10-2-9-26-18(28)15-8-3-12(11-16(15)25-19(26)31)17(27)24-13-4-6-14(7-5-13)30-20(21,22)23/h3-8,11H,2,9-10H2,1H3,(H,24,27)(H,25,31)