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

Systemtic Name: 1-[(3-chloranyl-4-tetradecoxy-phenyl)methyl]-3-methyl-1-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea Openeye Name: 1-[(3-chloro-4-tetradecoxy-phenyl)methyl]-3-methyl-1-[4-(thiazol-3-ium-3-ylmethyl)phenyl]urea CAS Name: 1-[(3-chloro-4-tetradecoxyphenyl)methyl]-3-methyl-1-[4-(3-thiazol-3-iumylmethyl)phenyl]urea IUPAC Name: 1-[(3-chloro-4-tetradecoxyphenyl)methyl]-3-methyl-1-[4-(1,3-thiazol-3-ium-3-ylmethyl)phenyl]urea Traditional Name: 1-(3-chloro-4-myristyloxy-benzyl)-3-methyl-1-[4-(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=C(C=C1)CN(C2=CC=C(C=C2)C[N+]3=CSC=C3)C(=O)NC)Cl

Isomeric SMILES

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

InChI

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