ethyl 4-[[4-oxidanylidene-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazolin-7-yl]carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[4-oxidanylidene-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazolin-7-yl]carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazolin-7-yl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[4-keto-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H21F3N4O4S MolecularWeight: 506.49745

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C23H21F3N4O4S/c1-2-34-22(33)29-10-8-28(9-11-29)19(31)14-6-7-17-18(12-14)27-21(35)30(20(17)32)16-5-3-4-15(13-16)23(24,25)26/h3-7,12-13H,2,8-11H2,1H3,(H,27,35)