3-prop-2-enyl-2-sulfanylidene-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-quinazolin-4-olate

Systemtic Name: 3-prop-2-enyl-2-sulfanylidene-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-quinazolin-4-olate Openeye Name: 3-allyl-2-thioxo-7-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]quinazolin-4-olate CAS Name: 7-[oxo-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-3-prop-2-enyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-prop-2-enyl-2-sulfanylidene-7-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]quinazolin-4-olate Traditional Name: 3-allyl-2-thioxo-7-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]quinazolin-4-olate Formula: C23H20F3N4O2S- MolecularWeight: 473.49071

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)[O-]

Isomeric SMILES

C=CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)[O-]

InChI

InChI=1S/C23H21F3N4O2S/c1-2-8-30-21(32)18-7-6-15(13-19(18)27-22(30)33)20(31)29-11-9-28(10-12-29)17-5-3-4-16(14-17)23(24,25)26/h2-7,13-14,32H,1,8-12H2/p-1