1-(4-dodecoxy-3-ethanoyl-phenyl)-3-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea

Systemtic Name: 1-(4-dodecoxy-3-ethanoyl-phenyl)-3-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea Openeye Name: 1-(3-acetyl-4-dodecoxy-phenyl)-3-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]urea CAS Name: 1-(3-acetyl-4-dodecoxyphenyl)-3-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]urea IUPAC Name: 1-(3-acetyl-4-dodecoxyphenyl)-3-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea Traditional Name: 1-(3-acetyl-4-lauryloxy-phenyl)-3-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]urea Formula: C32H44N3O3S+ MolecularWeight: 550.77506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)NC(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)NC(=O)NC2=CC=CC(=C2)C[N+]3=CSC(=C3)C)C(=O)C

InChI

InChI=1S/C32H43N3O3S/c1-4-5-6-7-8-9-10-11-12-13-19-38-31-18-17-29(21-30(31)26(3)36)34-32(37)33-28-16-14-15-27(20-28)23-35-22-25(2)39-24-35/h14-18,20-22,24H,4-13,19,23H2,1-3H3,(H-,33,34,37)/p+1