3-[(4-chlorophenyl)sulfanylmethyl]-N-[2-(2-methylpropanoylamino)ethyl]-1-benzofuran-2-carboxamide

Systemtic Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N-[2-(2-methylpropanoylamino)ethyl]-1-benzofuran-2-carboxamide Openeye Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N-[2-(2-methylpropanoylamino)ethyl]benzofuran-2-carboxamide CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-2-benzofurancarboxamide IUPAC Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N-[2-(2-methylpropanoylamino)ethyl]-1-benzofuran-2-carboxamide Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]-N-[2-(isobutyrylamino)ethyl]coumarilamide Formula: C22H23ClN2O3S MolecularWeight: 430.94762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O3S/c1-14(2)21(26)24-11-12-25-22(27)20-18(17-5-3-4-6-19(17)28-20)13-29-16-9-7-15(23)8-10-16/h3-10,14H,11-13H2,1-2H3,(H,24,26)(H,25,27)