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

Systemtic Name: 1-(3-ethanoyl-4-tetradecoxy-phenyl)-3-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea Openeye Name: 1-(3-acetyl-4-tetradecoxy-phenyl)-3-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]urea CAS Name: 1-(3-acetyl-4-tetradecoxyphenyl)-3-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]urea IUPAC Name: 1-(3-acetyl-4-tetradecoxyphenyl)-3-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea Traditional Name: 1-(3-acetyl-4-myristyloxy-phenyl)-3-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]urea Formula: C34H48N3O3S+ MolecularWeight: 578.82822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H47N3O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-21-40-33-20-19-31(23-32(33)28(3)38)36-34(39)35-30-18-16-17-29(22-30)25-37-24-27(2)41-26-37/h16-20,22-24,26H,4-15,21,25H2,1-3H3,(H-,35,36,39)/p+1