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

Systemtic Name: 2-[2-[(2-methylphenyl)amino]-4-oxidanylidene-3-prop-2-enyl-1,3-thiazol-3-ium-5-yl]-N-phenethyl-ethanamide Openeye Name: 2-[3-allyl-2-(2-methylanilino)-4-oxo-thiazol-3-ium-5-yl]-N-phenethyl-acetamide CAS Name: 2-[2-(2-methylanilino)-4-oxo-3-prop-2-enyl-5-thiazol-3-iumyl]-N-phenethylacetamide IUPAC Name: 2-[2-(2-methylanilino)-4-oxo-3-prop-2-enyl-1,3-thiazol-3-ium-5-yl]-N-phenethylacetamide Traditional Name: 2-[3-allyl-4-keto-2-(o-toluidino)-2-thiazolin-3-ium-5-yl]-N-phenethyl-acetamide Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=[N+](C(=O)C(S2)CC(=O)NCCC3=CC=CC=C3)CC=C

Isomeric SMILES

CC1=CC=CC=C1NC2=[N+](C(=O)C(S2)CC(=O)NCCC3=CC=CC=C3)CC=C

InChI

InChI=1S/C23H25N3O2S/c1-3-15-26-22(28)20(29-23(26)25-19-12-8-7-9-17(19)2)16-21(27)24-14-13-18-10-5-4-6-11-18/h3-12,20H,1,13-16H2,2H3,(H,24,27)/p+1