N-[2-(azepan-1-yl)-2-(4-ethoxyphenyl)ethyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-2-(4-ethoxyphenyl)ethyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(4-ethoxyphenyl)ethyl]-2-methyl-5-phenyl-thiazole-4-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(4-ethoxyphenyl)ethyl]-2-methyl-5-phenyl-4-thiazolecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-(4-ethoxyphenyl)ethyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-p-phenetyl-ethyl]-2-methyl-5-phenyl-thiazole-4-carboxamide Formula: C27H33N3O2S MolecularWeight: 463.63482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CNC(=O)C2=C(SC(=N2)C)C3=CC=CC=C3)N4CCCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(CNC(=O)C2=C(SC(=N2)C)C3=CC=CC=C3)N4CCCCCC4

InChI

InChI=1S/C27H33N3O2S/c1-3-32-23-15-13-21(14-16-23)24(30-17-9-4-5-10-18-30)19-28-27(31)25-26(33-20(2)29-25)22-11-7-6-8-12-22/h6-8,11-16,24H,3-5,9-10,17-19H2,1-2H3,(H,28,31)