3-[(4-chlorophenyl)sulfanylmethyl]-N-pentan-3-yl-1-benzofuran-2-carboxamide

Systemtic Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N-pentan-3-yl-1-benzofuran-2-carboxamide Openeye Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N-(1-ethylpropyl)benzofuran-2-carboxamide CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-N-pentan-3-yl-2-benzofurancarboxamide IUPAC Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N-pentan-3-yl-1-benzofuran-2-carboxamide Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]-N-(1-ethylpropyl)coumarilamide Formula: C21H22ClNO2S MolecularWeight: 387.92288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C1=C(C2=CC=CC=C2O1)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(CC)NC(=O)C1=C(C2=CC=CC=C2O1)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClNO2S/c1-3-15(4-2)23-21(24)20-18(17-7-5-6-8-19(17)25-20)13-26-16-11-9-14(22)10-12-16/h5-12,15H,3-4,13H2,1-2H3,(H,23,24)