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

Systemtic Name: 1-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-3-methyl-1-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea Openeye Name: 1-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-3-methyl-1-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]urea CAS Name: 1-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-3-methyl-1-[3-[(5-methyl-3-thiazol-3-iumyl)methyl]phenyl]urea IUPAC Name: 1-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-3-methyl-1-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]urea Traditional Name: 1-(3-tert-butyl-4-myristyloxy-benzyl)-3-methyl-1-[3-[(5-methylthiazol-3-ium-3-yl)methyl]phenyl]urea Formula: C38H58N3O2S+ MolecularWeight: 620.95102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H57N3O2S/c1-7-8-9-10-11-12-13-14-15-16-17-18-24-43-36-23-22-33(26-35(36)38(3,4)5)29-41(37(42)39-6)34-21-19-20-32(25-34)28-40-27-31(2)44-30-40/h19-23,25-27,30H,7-18,24,28-29H2,1-6H3/p+1