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

Systemtic Name: 1-(3-methoxy-4-tetradecoxy-phenyl)-3-[4-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea Openeye Name: 1-(3-methoxy-4-tetradecoxy-phenyl)-3-[4-[(2-methylthiazol-3-ium-3-yl)methyl]phenyl]urea CAS Name: 1-(3-methoxy-4-tetradecoxyphenyl)-3-[4-[(2-methyl-3-thiazol-3-iumyl)methyl]phenyl]urea IUPAC Name: 1-(3-methoxy-4-tetradecoxyphenyl)-3-[4-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea Traditional Name: 1-(3-methoxy-4-myristyloxy-phenyl)-3-[4-[(2-methylthiazol-3-ium-3-yl)methyl]phenyl]urea Formula: C33H48N3O3S+ MolecularWeight: 566.81752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H47N3O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-23-39-31-21-20-30(25-32(31)38-3)35-33(37)34-29-18-16-28(17-19-29)26-36-22-24-40-27(36)2/h16-22,24-25H,4-15,23,26H2,1-3H3,(H-,34,35,37)/p+1