N-[(2S)-butan-2-yl]-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(benzylsulfanylmethyl)-N-[(1S)-1-methylpropyl]benzofuran-2-carboxamide CAS Name: N-[(2S)-butan-2-yl]-3-[(phenylmethylthio)methyl]-2-benzofurancarboxamide IUPAC Name: 3-(benzylsulfanylmethyl)-N-[(2S)-butan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: 3-[(benzylthio)methyl]-N-[(1S)-1-methylpropyl]coumarilamide Formula: C21H23NO2S MolecularWeight: 353.47782

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C2=CC=CC=C2O1)CSCC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)NC(=O)C1=C(C2=CC=CC=C2O1)CSCC3=CC=CC=C3

InChI

InChI=1S/C21H23NO2S/c1-3-15(2)22-21(23)20-18(17-11-7-8-12-19(17)24-20)14-25-13-16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3,(H,22,23)/t15-/m0/s1