3-[3-[2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-3-oxidanylidene-propyl]quinazolin-4-one

Systemtic Name: 3-[3-[2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-3-oxidanylidene-propyl]quinazolin-4-one Openeye Name: 3-[3-[2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-3-oxo-propyl]quinazolin-4-one CAS Name: 3-[3-[2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-3-oxopropyl]-4-quinazolinone IUPAC Name: 3-[3-[2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-3-oxopropyl]quinazolin-4-one Traditional Name: 3-[3-keto-3-[2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]propyl]quinazolin-4-one Formula: C22H20F3N3O2S MolecularWeight: 447.47331

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=C(S1)C=CC(=C2)C(F)(F)F)C(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

CC1CCN(C2=C(S1)C=CC(=C2)C(F)(F)F)C(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H20F3N3O2S/c1-14-8-11-28(18-12-15(22(23,24)25)6-7-19(18)31-14)20(29)9-10-27-13-26-17-5-3-2-4-16(17)21(27)30/h2-7,12-14H,8-11H2,1H3