N-(3-aminocarbonylthiophen-2-yl)-3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-(3-aminocarbonylthiophen-2-yl)-3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-(3-carbamoyl-2-thienyl)-3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxamide CAS Name: N-(3-carbamoyl-2-thiophenyl)-3-[(cyclohexylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-(3-carbamoylthiophen-2-yl)-3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: N-(3-carbamoyl-2-thienyl)-3-[(cyclohexylthio)methyl]coumarilamide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)NC4=C(C=CS4)C(=O)N

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)NC4=C(C=CS4)C(=O)N

InChI

InChI=1S/C21H22N2O3S2/c22-19(24)15-10-11-27-21(15)23-20(25)18-16(12-28-13-6-2-1-3-7-13)14-8-4-5-9-17(14)26-18/h4-5,8-11,13H,1-3,6-7,12H2,(H2,22,24)(H,23,25)