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

Systemtic Name: N-(3-aminocarbonylthiophen-2-yl)-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(benzylsulfanylmethyl)-N-(3-carbamoyl-2-thienyl)benzofuran-2-carboxamide CAS Name: N-(3-carbamoyl-2-thiophenyl)-3-[(phenylmethylthio)methyl]-2-benzofurancarboxamide IUPAC Name: 3-(benzylsulfanylmethyl)-N-(3-carbamoylthiophen-2-yl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(benzylthio)methyl]-N-(3-carbamoyl-2-thienyl)coumarilamide Formula: C22H18N2O3S2 MolecularWeight: 422.51992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2=C(OC3=CC=CC=C32)C(=O)NC4=C(C=CS4)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CSCC2=C(OC3=CC=CC=C32)C(=O)NC4=C(C=CS4)C(=O)N

InChI

InChI=1S/C22H18N2O3S2/c23-20(25)16-10-11-29-22(16)24-21(26)19-17(15-8-4-5-9-18(15)27-19)13-28-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H2,23,25)(H,24,26)