3-[(4-chlorophenyl)sulfanylmethyl]-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide Openeye Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N-(2-thienylmethyl)benzofuran-2-carboxamide CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-N-(thiophen-2-ylmethyl)-2-benzofurancarboxamide IUPAC Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]-N-(2-thenyl)coumarilamide Formula: C21H16ClNO2S2 MolecularWeight: 413.94024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(O2)C(=O)NCC3=CC=CS3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(O2)C(=O)NCC3=CC=CS3)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H16ClNO2S2/c22-14-7-9-15(10-8-14)27-13-18-17-5-1-2-6-19(17)25-20(18)21(24)23-12-16-4-3-11-26-16/h1-11H,12-13H2,(H,23,24)