1-(3-methoxy-2-tetradecoxy-phenyl)-3-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea

Systemtic Name: 1-(3-methoxy-2-tetradecoxy-phenyl)-3-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea Openeye Name: 1-(3-methoxy-2-tetradecoxy-phenyl)-3-[2-(thiazol-3-ium-3-ylmethyl)phenyl]urea CAS Name: 1-(3-methoxy-2-tetradecoxyphenyl)-3-[2-(3-thiazol-3-iumylmethyl)phenyl]urea IUPAC Name: 1-(3-methoxy-2-tetradecoxyphenyl)-3-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea Traditional Name: 1-(3-methoxy-2-myristyloxy-phenyl)-3-[2-(thiazol-3-ium-3-ylmethyl)phenyl]urea Formula: C32H46N3O3S+ MolecularWeight: 552.79094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1OC)NC(=O)NC2=CC=CC=C2C[N+]3=CSC=C3

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1OC)NC(=O)NC2=CC=CC=C2C[N+]3=CSC=C3

InChI

InChI=1S/C32H45N3O3S/c1-3-4-5-6-7-8-9-10-11-12-13-16-23-38-31-29(20-17-21-30(31)37-2)34-32(36)33-28-19-15-14-18-27(28)25-35-22-24-39-26-35/h14-15,17-22,24,26H,3-13,16,23,25H2,1-2H3,(H-,33,34,36)/p+1