1-(2-chloranyl-4-tetradecoxy-phenyl)-3-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide

Systemtic Name: 1-(2-chloranyl-4-tetradecoxy-phenyl)-3-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Openeye Name: 1-(2-chloro-4-tetradecoxy-phenyl)-3-[2-(thiazol-3-ium-3-ylmethyl)phenyl]urea bromide CAS Name: 1-(2-chloro-4-tetradecoxyphenyl)-3-[2-(3-thiazol-3-iumylmethyl)phenyl]urea bromide IUPAC Name: 1-(2-chloro-4-tetradecoxyphenyl)-3-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Traditional Name: 1-(2-chloro-4-myristyloxy-phenyl)-3-[2-(thiazol-3-ium-3-ylmethyl)phenyl]urea bromide Formula: C31H43BrClN3O2S MolecularWeight: 637.11402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)NC(=O)NC2=CC=CC=C2C[N+]3=CSC=C3)Cl.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)NC(=O)NC2=CC=CC=C2C[N+]3=CSC=C3)Cl.[Br-]

InChI

InChI=1S/C31H42ClN3O2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-37-27-18-19-30(28(32)23-27)34-31(36)33-29-17-14-13-16-26(29)24-35-20-22-38-25-35;/h13-14,16-20,22-23,25H,2-12,15,21,24H2,1H3,(H-,33,34,36);1H