1-(3-ethanoyl-2-hexadecoxy-phenyl)-3-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea

Systemtic Name: 1-(3-ethanoyl-2-hexadecoxy-phenyl)-3-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea Openeye Name: 1-(3-acetyl-2-hexadecoxy-phenyl)-3-[4-(thiazol-3-ium-3-ylmethyl)phenyl]urea CAS Name: 1-(3-acetyl-2-hexadecoxyphenyl)-3-[4-(3-thiazol-3-iumylmethyl)phenyl]urea IUPAC Name: 1-(3-acetyl-2-hexadecoxyphenyl)-3-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea Traditional Name: 1-(3-acetyl-2-cetyloxy-phenyl)-3-[4-(thiazol-3-ium-3-ylmethyl)phenyl]urea Formula: C35H50N3O3S+ MolecularWeight: 592.8548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=CC=C1NC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=CC=C1NC(=O)NC2=CC=C(C=C2)C[N+]3=CSC=C3)C(=O)C

InChI

InChI=1S/C35H49N3O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-41-34-32(29(2)39)18-17-19-33(34)37-35(40)36-31-22-20-30(21-23-31)27-38-24-26-42-28-38/h17-24,26,28H,3-16,25,27H2,1-2H3,(H-,36,37,40)/p+1