N-[2-[(2S)-butan-2-yl]phenyl]-3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-[(2S)-butan-2-yl]phenyl]-3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: 3-(cyclohexylsulfanylmethyl)-N-[2-[(1S)-1-methylpropyl]phenyl]benzofuran-2-carboxamide CAS Name: N-[2-[(2S)-butan-2-yl]phenyl]-3-[(cyclohexylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-[2-[(2S)-butan-2-yl]phenyl]-3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(cyclohexylthio)methyl]-N-[2-[(1S)-1-methylpropyl]phenyl]coumarilamide Formula: C26H31NO2S MolecularWeight: 421.59484

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)C2=C(C3=CC=CC=C3O2)CSC4CCCCC4

InChI

InChI=1S/C26H31NO2S/c1-3-18(2)20-13-7-9-15-23(20)27-26(28)25-22(17-30-19-11-5-4-6-12-19)21-14-8-10-16-24(21)29-25/h7-10,13-16,18-19H,3-6,11-12,17H2,1-2H3,(H,27,28)/t18-/m0/s1