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

Systemtic Name: ethyl N-[2-[(4-bromophenyl)amino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-3-ium-5-yl]carbamate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H21BrN3O2S+ MolecularWeight: 459.37934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3O2S/c1-3-14-25-18(15-8-6-5-7-9-15)19(24-21(26)27-4-2)28-20(25)23-17-12-10-16(22)11-13-17/h3,5-13H,1,4,14H2,2H3,(H,24,26)/p+1