1-(3-tetradecoxyphenyl)-3-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea

Systemtic Name: 1-(3-tetradecoxyphenyl)-3-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea Openeye Name: 1-(3-tetradecoxyphenyl)-3-[3-(thiazol-3-ium-3-ylmethyl)phenyl]urea CAS Name: 1-(3-tetradecoxyphenyl)-3-[3-(3-thiazol-3-iumylmethyl)phenyl]urea IUPAC Name: 1-(3-tetradecoxyphenyl)-3-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea Traditional Name: 1-(3-myristyloxyphenyl)-3-[3-(thiazol-3-ium-3-ylmethyl)phenyl]urea Formula: C31H44N3O2S+ MolecularWeight: 522.76496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC(=C1)NC(=O)NC2=CC=CC(=C2)C[N+]3=CSC=C3

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1)NC(=O)NC2=CC=CC(=C2)C[N+]3=CSC=C3

InChI

InChI=1S/C31H43N3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-21-36-30-19-15-18-29(24-30)33-31(35)32-28-17-14-16-27(23-28)25-34-20-22-37-26-34/h14-20,22-24,26H,2-13,21,25H2,1H3,(H-,32,33,35)/p+1