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

Systemtic Name: 1-(3-methoxy-4-tetradecoxy-phenyl)-3-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea Openeye Name: 1-(3-methoxy-4-tetradecoxy-phenyl)-3-[2-(thiazol-3-ium-3-ylmethyl)phenyl]urea CAS Name: 1-(3-methoxy-4-tetradecoxyphenyl)-3-[2-(3-thiazol-3-iumylmethyl)phenyl]urea IUPAC Name: 1-(3-methoxy-4-tetradecoxyphenyl)-3-[2-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea Traditional Name: 1-(3-methoxy-4-myristyloxy-phenyl)-3-[2-(thiazol-3-ium-3-ylmethyl)phenyl]urea Formula: C32H46N3O3S+ MolecularWeight: 552.79094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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