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

Systemtic Name: methyl 4-[phenethyl-(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate Openeye Name: methyl 4-[phenethyl-(4-phenylthiazol-2-yl)carbamoyl]benzoate CAS Name: 4-[oxo-[phenethyl-(4-phenyl-2-thiazolyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[phenethyl-(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate Traditional Name: 4-[phenethyl-(4-phenylthiazol-2-yl)carbamoyl]benzoic acid methyl ester Formula: C26H22N2O3S MolecularWeight: 442.52948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22N2O3S/c1-31-25(30)22-14-12-21(13-15-22)24(29)28(17-16-19-8-4-2-5-9-19)26-27-23(18-32-26)20-10-6-3-7-11-20/h2-15,18H,16-17H2,1H3