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

Systemtic Name: 2-[2-[(3-chloranyl-4-methyl-phenyl)amino]-4-oxidanylidene-3-prop-2-enyl-1,3-thiazol-3-ium-5-yl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[3-allyl-2-(3-chloro-4-methyl-anilino)-4-oxo-thiazol-3-ium-5-yl]-N-benzyl-acetamide CAS Name: 2-[2-(3-chloro-4-methylanilino)-4-oxo-3-prop-2-enyl-5-thiazol-3-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[2-(3-chloro-4-methylanilino)-4-oxo-3-prop-2-enyl-1,3-thiazol-3-ium-5-yl]acetamide Traditional Name: 2-[3-allyl-2-(3-chloro-4-methyl-anilino)-4-keto-2-thiazolin-3-ium-5-yl]-N-benzyl-acetamide Formula: C22H23ClN3O2S+ MolecularWeight: 428.95492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=[N+](C(=O)C(S2)CC(=O)NCC3=CC=CC=C3)CC=C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=[N+](C(=O)C(S2)CC(=O)NCC3=CC=CC=C3)CC=C)Cl

InChI

InChI=1S/C22H22ClN3O2S/c1-3-11-26-21(28)19(13-20(27)24-14-16-7-5-4-6-8-16)29-22(26)25-17-10-9-15(2)18(23)12-17/h3-10,12,19H,1,11,13-14H2,2H3,(H,24,27)/p+1