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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1Cl)NC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1Cl)NC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3.[Br-]

InChI

InChI=1S/C31H42ClN3O2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-22-37-30-28(32)15-14-16-29(30)34-31(36)33-27-19-17-26(18-20-27)24-35-21-23-38-25-35;/h14-21,23,25H,2-13,22,24H2,1H3,(H-,33,34,36);1H