N-(1,3-benzodioxol-5-ylmethyl)-3-(cyclohexylsulfanylmethyl)-N-methyl-1-benzofuran-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(cyclohexylsulfanylmethyl)-N-methyl-1-benzofuran-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(cyclohexylsulfanylmethyl)-N-methyl-benzofuran-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[(cyclohexylthio)methyl]-N-methyl-2-benzofurancarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(cyclohexylsulfanylmethyl)-N-methyl-1-benzofuran-2-carboxamide Traditional Name: 3-[(cyclohexylthio)methyl]-N-methyl-N-piperonyl-coumarilamide Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCO2)C(=O)C3=C(C4=CC=CC=C4O3)CSC5CCCCC5

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCO2)C(=O)C3=C(C4=CC=CC=C4O3)CSC5CCCCC5

InChI

InChI=1S/C25H27NO4S/c1-26(14-17-11-12-22-23(13-17)29-16-28-22)25(27)24-20(15-31-18-7-3-2-4-8-18)19-9-5-6-10-21(19)30-24/h5-6,9-13,18H,2-4,7-8,14-16H2,1H3