methyl N-[2-[(4-bromophenyl)amino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-3-ium-5-yl]carbamate

Systemtic Name: methyl N-[2-[(4-bromophenyl)amino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-3-ium-5-yl]carbamate Openeye Name: methyl N-[3-allyl-2-(4-bromoanilino)-4-phenyl-thiazol-3-ium-5-yl]carbamate CAS Name: N-[2-(4-bromoanilino)-4-phenyl-3-prop-2-enyl-5-thiazol-3-iumyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-(4-bromoanilino)-4-phenyl-3-prop-2-enyl-1,3-thiazol-3-ium-5-yl]carbamate Traditional Name: N-[3-allyl-2-(4-bromoanilino)-4-phenyl-thiazol-3-ium-5-yl]carbamic acid methyl ester Formula: C20H19BrN3O2S+ MolecularWeight: 445.35276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C([N+](=C(S1)NC2=CC=C(C=C2)Br)CC=C)C3=CC=CC=C3

Isomeric SMILES

COC(=O)NC1=C([N+](=C(S1)NC2=CC=C(C=C2)Br)CC=C)C3=CC=CC=C3

InChI

InChI=1S/C20H18BrN3O2S/c1-3-13-24-17(14-7-5-4-6-8-14)18(23-20(25)26-2)27-19(24)22-16-11-9-15(21)10-12-16/h3-12H,1,13H2,2H3,(H,23,25)/p+1