N-butyl-2-[[2-(1H-indol-3-yl)ethyl-[(4-phenylmethoxyphenyl)methyl]amino]methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-butyl-2-[[2-(1H-indol-3-yl)ethyl-[(4-phenylmethoxyphenyl)methyl]amino]methyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(4-benzyloxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-butyl-thiazole-4-carboxamide CAS Name: N-butyl-2-[[2-(1H-indol-3-yl)ethyl-[(4-phenylmethoxyphenyl)methyl]amino]methyl]-4-thiazolecarboxamide IUPAC Name: N-butyl-2-[[2-(1H-indol-3-yl)ethyl-[(4-phenylmethoxyphenyl)methyl]amino]methyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(4-benzoxybenzyl)-[2-(1H-indol-3-yl)ethyl]amino]methyl]-N-butyl-thiazole-4-carboxamide Formula: C33H36N4O2S MolecularWeight: 552.72954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CSC(=N1)CN(CCC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CCCCNC(=O)C1=CSC(=N1)CN(CCC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C33H36N4O2S/c1-2-3-18-34-33(38)31-24-40-32(36-31)22-37(19-17-27-20-35-30-12-8-7-11-29(27)30)21-25-13-15-28(16-14-25)39-23-26-9-5-4-6-10-26/h4-16,20,24,35H,2-3,17-19,21-23H2,1H3,(H,34,38)