3-(2-diethylaminoethyl)-7-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(2-diethylaminoethyl)-7-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(2-diethylaminoethyl)-7-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(2-diethylaminoethyl)-7-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl]-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(2-diethylaminoethyl)-7-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(2-diethylaminoethyl)-7-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C27H31F3N4O3S MolecularWeight: 548.62025

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)(C4=CC(=CC=C4)C(F)(F)F)O)NC1=S

Isomeric SMILES

CCN(CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)(C4=CC(=CC=C4)C(F)(F)F)O)NC1=S

InChI

InChI=1S/C27H31F3N4O3S/c1-3-32(4-2)14-15-34-24(36)21-9-8-18(16-22(21)31-25(34)38)23(35)33-12-10-26(37,11-13-33)19-6-5-7-20(17-19)27(28,29)30/h5-9,16-17,37H,3-4,10-15H2,1-2H3,(H,31,38)