3-[3-oxidanylidene-3-[4-[4-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]propyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[3-oxidanylidene-3-[4-[4-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]propyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-oxo-3-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-oxo-3-[4-[oxo-[4-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]propyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-oxo-3-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]propyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-keto-3-[4-[4-(trifluoromethyl)benzoyl]piperazino]propyl]-2-thioxo-1H-quinazolin-4-one Formula: C23H21F3N4O3S MolecularWeight: 490.49805

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)C(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)CCN2C(=O)C3=CC=CC=C3NC2=S)C(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C23H21F3N4O3S/c24-23(25,26)16-7-5-15(6-8-16)20(32)29-13-11-28(12-14-29)19(31)9-10-30-21(33)17-3-1-2-4-18(17)27-22(30)34/h1-8H,9-14H2,(H,27,34)