2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-methyl-benzamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-methyl-benzamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[2-(tert-butylamino)-2-oxo-ethyl]-N-methyl-benzamide CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]-N-[2-(tert-butylamino)-2-keto-ethyl]-N-methyl-benzamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN(C)C(=O)C1=CC=CC=C1CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(C)(C)NC(=O)CN(C)C(=O)C1=CC=CC=C1CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C22H25N3O3S/c1-22(2,3)24-19(26)13-25(4)20(27)16-10-6-5-9-15(16)14-29-21-23-17-11-7-8-12-18(17)28-21/h5-12H,13-14H2,1-4H3,(H,24,26)