1-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl]amino]-3-phenyl-urea bromide

Systemtic Name: 1-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl]amino]-3-phenyl-urea bromide Openeye Name: 1-[[3-allyl-4-(4-methoxyphenyl)thiazol-3-ium-2-yl]amino]-3-phenyl-urea bromide CAS Name: 1-[[4-(4-methoxyphenyl)-3-prop-2-enyl-2-thiazol-3-iumyl]amino]-3-phenylurea bromide IUPAC Name: 1-[[4-(4-methoxyphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl]amino]-3-phenylurea bromide Traditional Name: 1-[[3-allyl-4-(4-methoxyphenyl)thiazol-3-ium-2-yl]amino]-3-phenyl-urea bromide Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=[N+]2CC=C)NNC(=O)NC3=CC=CC=C3.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=[N+]2CC=C)NNC(=O)NC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C20H20N4O2S.BrH/c1-3-13-24-18(15-9-11-17(26-2)12-10-15)14-27-20(24)23-22-19(25)21-16-7-5-4-6-8-16;/h3-12,14H,1,13H2,2H3,(H2,21,22,25);1H