3-prop-2-enyl-2-sulfanylidene-7-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-1H-quinazolin-4-one

Systemtic Name: 3-prop-2-enyl-2-sulfanylidene-7-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-1H-quinazolin-4-one Openeye Name: 3-allyl-2-thioxo-7-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-1H-quinazolin-4-one CAS Name: 7-[oxo-[4-(2,2,2-trifluoroethyl)-1-piperazinyl]methyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-prop-2-enyl-2-sulfanylidene-7-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-1H-quinazolin-4-one Traditional Name: 3-allyl-2-thioxo-7-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-1H-quinazolin-4-one Formula: C18H19F3N4O2S MolecularWeight: 412.42927

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC(F)(F)F)NC1=S

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC(F)(F)F)NC1=S

InChI

InChI=1S/C18H19F3N4O2S/c1-2-5-25-16(27)13-4-3-12(10-14(13)22-17(25)28)15(26)24-8-6-23(7-9-24)11-18(19,20)21/h2-4,10H,1,5-9,11H2,(H,22,28)