3-[(4-oxidanylidene-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]propanamide

Systemtic Name: 3-[(4-oxidanylidene-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]propanamide Openeye Name: 3-[(3-allyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]propanamide CAS Name: 3-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]-N-[3-(trifluoromethyl)phenyl]propanamide IUPAC Name: 3-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]propanamide Traditional Name: 3-[(3-allyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]-N-[3-(trifluoromethyl)phenyl]propionamide Formula: C23H22F3N3O2S2 MolecularWeight: 493.56489

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCCC(=O)NC3=CC=CC(=C3)C(F)(F)F)SC4=C2CCCC4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCCC(=O)NC3=CC=CC(=C3)C(F)(F)F)SC4=C2CCCC4

InChI

InChI=1S/C23H22F3N3O2S2/c1-2-11-29-21(31)19-16-8-3-4-9-17(16)33-20(19)28-22(29)32-12-10-18(30)27-15-7-5-6-14(13-15)23(24,25)26/h2,5-7,13H,1,3-4,8-12H2,(H,27,30)