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

Systemtic Name: 7-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]carbonyl-3-propyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-3-propyl-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl]-oxomethyl]-3-propyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-3-propyl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-3-propyl-2-thioxo-1H-quinazolin-4-one Formula: C24H24F3N3O3S MolecularWeight: 491.52587

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)(C4=CC(=CC=C4)C(F)(F)F)O)NC1=S

Isomeric SMILES

CCCN1C(=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/C24H24F3N3O3S/c1-2-10-30-21(32)18-7-6-15(13-19(18)28-22(30)34)20(31)29-11-8-23(33,9-12-29)16-4-3-5-17(14-16)24(25,26)27/h3-7,13-14,33H,2,8-12H2,1H3,(H,28,34)