1-[(4-chloranyl-3-tetradecoxy-phenyl)methyl]-3-methyl-1-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea

Systemtic Name: 1-[(4-chloranyl-3-tetradecoxy-phenyl)methyl]-3-methyl-1-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea Openeye Name: 1-[(4-chloro-3-tetradecoxy-phenyl)methyl]-3-methyl-1-[3-(thiazol-3-ium-3-ylmethyl)phenyl]urea CAS Name: 1-[(4-chloro-3-tetradecoxyphenyl)methyl]-3-methyl-1-[3-(3-thiazol-3-iumylmethyl)phenyl]urea IUPAC Name: 1-[(4-chloro-3-tetradecoxyphenyl)methyl]-3-methyl-1-[3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea Traditional Name: 1-(4-chloro-3-myristyloxy-benzyl)-3-methyl-1-[3-(thiazol-3-ium-3-ylmethyl)phenyl]urea Formula: C33H47ClN3O2S+ MolecularWeight: 585.26318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H46ClN3O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-39-32-24-29(18-19-31(32)34)26-37(33(38)35-2)30-17-15-16-28(23-30)25-36-20-22-40-27-36/h15-20,22-24,27H,3-14,21,25-26H2,1-2H3/p+1