N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(4-fluorophenyl)methyl-[(4-phenylmethoxyphenyl)methyl]amino]methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(4-fluorophenyl)methyl-[(4-phenylmethoxyphenyl)methyl]amino]methyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(4-benzyloxyphenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]thiazole-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(4-fluorophenyl)methyl-[(4-phenylmethoxyphenyl)methyl]amino]methyl]-4-thiazolecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(4-fluorophenyl)methyl-[(4-phenylmethoxyphenyl)methyl]amino]methyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(4-benzoxybenzyl)-(4-fluorobenzyl)amino]methyl]-N-homoveratryl-thiazole-4-carboxamide Formula: C36H36FN3O4S MolecularWeight: 625.752143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CSC(=N2)CN(CC3=CC=C(C=C3)OCC4=CC=CC=C4)CC5=CC=C(C=C5)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CSC(=N2)CN(CC3=CC=C(C=C3)OCC4=CC=CC=C4)CC5=CC=C(C=C5)F)OC

InChI

InChI=1S/C36H36FN3O4S/c1-42-33-17-12-26(20-34(33)43-2)18-19-38-36(41)32-25-45-35(39-32)23-40(21-27-8-13-30(37)14-9-27)22-28-10-15-31(16-11-28)44-24-29-6-4-3-5-7-29/h3-17,20,25H,18-19,21-24H2,1-2H3,(H,38,41)