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

Systemtic Name: N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(benzylsulfanylmethyl)-N-[2-(tert-butylamino)-2-oxo-ethyl]benzofuran-2-carboxamide CAS Name: N-[2-(tert-butylamino)-2-oxoethyl]-3-[(phenylmethylthio)methyl]-2-benzofurancarboxamide IUPAC Name: 3-(benzylsulfanylmethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-1-benzofuran-2-carboxamide Traditional Name: 3-[(benzylthio)methyl]-N-[2-(tert-butylamino)-2-keto-ethyl]coumarilamide Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O3S/c1-23(2,3)25-20(26)13-24-22(27)21-18(17-11-7-8-12-19(17)28-21)15-29-14-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3,(H,24,27)(H,25,26)