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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[2-[(2-methylphenyl)amino]-4-oxidanylidene-3-prop-2-enyl-1,3-thiazol-3-ium-5-yl]ethanamide Openeye Name: 2-[3-allyl-2-(2-methylanilino)-4-oxo-thiazol-3-ium-5-yl]-N-(5-chloro-2-methoxy-phenyl)acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[2-(2-methylanilino)-4-oxo-3-prop-2-enyl-5-thiazol-3-iumyl]acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[2-(2-methylanilino)-4-oxo-3-prop-2-enyl-1,3-thiazol-3-ium-5-yl]acetamide Traditional Name: 2-[3-allyl-4-keto-2-(o-toluidino)-2-thiazolin-3-ium-5-yl]-N-(5-chloro-2-methoxy-phenyl)acetamide Formula: C22H23ClN3O3S+ MolecularWeight: 444.95432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=[N+](C(=O)C(S2)CC(=O)NC3=C(C=CC(=C3)Cl)OC)CC=C

Isomeric SMILES

CC1=CC=CC=C1NC2=[N+](C(=O)C(S2)CC(=O)NC3=C(C=CC(=C3)Cl)OC)CC=C

InChI

InChI=1S/C22H22ClN3O3S/c1-4-11-26-21(28)19(30-22(26)25-16-8-6-5-7-14(16)2)13-20(27)24-17-12-15(23)9-10-18(17)29-3/h4-10,12,19H,1,11,13H2,2-3H3,(H,24,27)/p+1