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

Systemtic Name: 1-[[4-(4-ethoxyphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl]amino]-3-phenyl-urea bromide Openeye Name: 1-[[3-allyl-4-(4-ethoxyphenyl)thiazol-3-ium-2-yl]amino]-3-phenyl-urea bromide CAS Name: 1-[[4-(4-ethoxyphenyl)-3-prop-2-enyl-2-thiazol-3-iumyl]amino]-3-phenylurea bromide IUPAC Name: 1-[[4-(4-ethoxyphenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl]amino]-3-phenylurea bromide Traditional Name: 1-[(3-allyl-4-p-phenetyl-thiazol-3-ium-2-yl)amino]-3-phenyl-urea bromide Formula: C21H23BrN4O2S MolecularWeight: 475.40192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC(=[N+]2CC=C)NNC(=O)NC3=CC=CC=C3.[Br-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC(=[N+]2CC=C)NNC(=O)NC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C21H22N4O2S.BrH/c1-3-14-25-19(16-10-12-18(13-11-16)27-4-2)15-28-21(25)24-23-20(26)22-17-8-6-5-7-9-17;/h3,5-13,15H,1,4,14H2,2H3,(H2,22,23,26);1H