N-(2-fluorophenyl)-2-[2-[(4-methylphenyl)amino]-4-oxidanylidene-3-prop-2-enyl-1,3-thiazol-3-ium-5-yl]ethanamide

Systemtic Name: N-(2-fluorophenyl)-2-[2-[(4-methylphenyl)amino]-4-oxidanylidene-3-prop-2-enyl-1,3-thiazol-3-ium-5-yl]ethanamide Openeye Name: 2-[3-allyl-2-(4-methylanilino)-4-oxo-thiazol-3-ium-5-yl]-N-(2-fluorophenyl)acetamide CAS Name: N-(2-fluorophenyl)-2-[2-(4-methylanilino)-4-oxo-3-prop-2-enyl-5-thiazol-3-iumyl]acetamide IUPAC Name: N-(2-fluorophenyl)-2-[2-(4-methylanilino)-4-oxo-3-prop-2-enyl-1,3-thiazol-3-ium-5-yl]acetamide Traditional Name: 2-[3-allyl-4-keto-2-(p-toluidino)-2-thiazolin-3-ium-5-yl]-N-(2-fluorophenyl)acetamide Formula: C21H21FN3O2S+ MolecularWeight: 398.473743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=[N+](C(=O)C(S2)CC(=O)NC3=CC=CC=C3F)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=[N+](C(=O)C(S2)CC(=O)NC3=CC=CC=C3F)CC=C

InChI

InChI=1S/C21H20FN3O2S/c1-3-12-25-20(27)18(13-19(26)24-17-7-5-4-6-16(17)22)28-21(25)23-15-10-8-14(2)9-11-15/h3-11,18H,1,12-13H2,2H3,(H,24,26)/p+1