1-[2-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-3-(4-tetradecoxyphenyl)urea

Systemtic Name: 1-[2-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-3-(4-tetradecoxyphenyl)urea Openeye Name: 1-[2-[(2-methylthiazol-3-ium-3-yl)methyl]phenyl]-3-(4-tetradecoxyphenyl)urea CAS Name: 1-[2-[(2-methyl-3-thiazol-3-iumyl)methyl]phenyl]-3-(4-tetradecoxyphenyl)urea IUPAC Name: 1-[2-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-3-(4-tetradecoxyphenyl)urea Traditional Name: 1-[2-[(2-methylthiazol-3-ium-3-yl)methyl]phenyl]-3-(4-myristyloxyphenyl)urea Formula: C32H46N3O2S+ MolecularWeight: 536.79154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2C[N+]3=C(SC=C3)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2C[N+]3=C(SC=C3)C

InChI

InChI=1S/C32H45N3O2S/c1-3-4-5-6-7-8-9-10-11-12-13-16-24-37-30-21-19-29(20-22-30)33-32(36)34-31-18-15-14-17-28(31)26-35-23-25-38-27(35)2/h14-15,17-23,25H,3-13,16,24,26H2,1-2H3,(H-,33,34,36)/p+1