1-(2-chloranyl-4-tetradecoxy-phenyl)-3-[2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea

Systemtic Name: 1-(2-chloranyl-4-tetradecoxy-phenyl)-3-[2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea Openeye Name: 1-(2-chloro-4-tetradecoxy-phenyl)-3-[2-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]urea CAS Name: 1-(2-chloro-4-tetradecoxyphenyl)-3-[2-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]urea IUPAC Name: 1-(2-chloro-4-tetradecoxyphenyl)-3-[2-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea Traditional Name: 1-(2-chloro-4-myristyloxy-phenyl)-3-[2-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]urea Formula: C32H45ClN3O2S+ MolecularWeight: 571.2366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H44ClN3O2S/c1-3-4-5-6-7-8-9-10-11-12-13-16-21-38-28-19-20-31(29(33)22-28)35-32(37)34-30-18-15-14-17-27(30)24-36-23-26(2)39-25-36/h14-15,17-20,22-23,25H,3-13,16,21,24H2,1-2H3,(H-,34,35,37)/p+1