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

Systemtic Name: N-[2-[(4-bromophenyl)amino]-4-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-5-yl]ethanamide Openeye Name: N-[3-allyl-2-(4-bromoanilino)-4-(p-tolyl)thiazol-3-ium-5-yl]acetamide CAS Name: N-[2-(4-bromoanilino)-4-(4-methylphenyl)-3-prop-2-enyl-5-thiazol-3-iumyl]acetamide IUPAC Name: N-[2-(4-bromoanilino)-4-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-5-yl]acetamide Traditional Name: N-[3-allyl-2-(4-bromoanilino)-4-(p-tolyl)thiazol-3-ium-5-yl]acetamide Formula: C21H21BrN3OS+ MolecularWeight: 443.37994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC(=[N+]2CC=C)NC3=CC=C(C=C3)Br)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC(=[N+]2CC=C)NC3=CC=C(C=C3)Br)NC(=O)C

InChI

InChI=1S/C21H20BrN3OS/c1-4-13-25-19(16-7-5-14(2)6-8-16)20(23-15(3)26)27-21(25)24-18-11-9-17(22)10-12-18/h4-12H,1,13H2,2-3H3,(H,23,26)/p+1