methyl 4-[[phenethyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[phenethyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]benzoate Openeye Name: methyl 4-[[phenethyl-(4-phenylthiazol-2-yl)amino]methyl]benzoate CAS Name: 4-[[phenethyl-(4-phenyl-2-thiazolyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[phenethyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]benzoate Traditional Name: 4-[[phenethyl-(4-phenylthiazol-2-yl)amino]methyl]benzoic acid methyl ester Formula: C26H24N2O2S MolecularWeight: 428.54596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN(CCC2=CC=CC=C2)C3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN(CCC2=CC=CC=C2)C3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C26H24N2O2S/c1-30-25(29)23-14-12-21(13-15-23)18-28(17-16-20-8-4-2-5-9-20)26-27-24(19-31-26)22-10-6-3-7-11-22/h2-15,19H,16-18H2,1H3