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

Systemtic Name: 1-(4-chloranyl-3-dodecoxy-phenyl)-3-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea Openeye Name: 1-(4-chloro-3-dodecoxy-phenyl)-3-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]urea CAS Name: 1-(4-chloro-3-dodecoxyphenyl)-3-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]urea IUPAC Name: 1-(4-chloro-3-dodecoxyphenyl)-3-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea Traditional Name: 1-(4-chloro-3-lauryloxy-phenyl)-3-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]urea Formula: C30H41ClN3O2S+ MolecularWeight: 543.18344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H40ClN3O2S/c1-3-4-5-6-7-8-9-10-11-12-18-36-29-20-27(16-17-28(29)31)33-30(35)32-26-15-13-14-25(19-26)22-34-21-24(2)37-23-34/h13-17,19-21,23H,3-12,18,22H2,1-2H3,(H-,32,33,35)/p+1