N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-methyl-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-methyl-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(benzylsulfanylmethyl)-N-[2-(tert-butylamino)-2-oxo-ethyl]-N-methyl-benzofuran-2-carboxamide CAS Name: N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-[(phenylmethylthio)methyl]-2-benzofurancarboxamide IUPAC Name: 3-(benzylsulfanylmethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1-benzofuran-2-carboxamide Traditional Name: 3-[(benzylthio)methyl]-N-[2-(tert-butylamino)-2-keto-ethyl]-N-methyl-coumarilamide Formula: C24H28N2O3S MolecularWeight: 424.55572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O3S/c1-24(2,3)25-21(27)14-26(4)23(28)22-19(18-12-8-9-13-20(18)29-22)16-30-15-17-10-6-5-7-11-17/h5-13H,14-16H2,1-4H3,(H,25,27)