1-(3-chloranyl-4-octoxy-phenyl)-3-[3-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea

Systemtic Name: 1-(3-chloranyl-4-octoxy-phenyl)-3-[3-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea Openeye Name: 1-(3-chloro-4-octoxy-phenyl)-3-[3-[(4-methylthiazol-3-ium-3-yl)methyl]phenyl]urea CAS Name: 1-(3-chloro-4-octoxyphenyl)-3-[3-[(4-methyl-3-thiazol-3-iumyl)methyl]phenyl]urea IUPAC Name: 1-(3-chloro-4-octoxyphenyl)-3-[3-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea Traditional Name: 1-(3-chloro-4-octoxy-phenyl)-3-[3-[(4-methylthiazol-3-ium-3-yl)methyl]phenyl]urea Formula: C26H33ClN3O2S+ MolecularWeight: 487.07712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)NC(=O)NC2=CC=CC(=C2)C[N+]3=CSC=C3C)Cl

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)NC(=O)NC2=CC=CC(=C2)C[N+]3=CSC=C3C)Cl

InChI

InChI=1S/C26H32ClN3O2S/c1-3-4-5-6-7-8-14-32-25-13-12-23(16-24(25)27)29-26(31)28-22-11-9-10-21(15-22)17-30-19-33-18-20(30)2/h9-13,15-16,18-19H,3-8,14,17H2,1-2H3,(H-,28,29,31)/p+1