N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-methyl-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-methyl-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(tert-butylamino)-2-oxo-ethyl]-N-methyl-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(tert-butylamino)-2-keto-ethyl]-N-methyl-5-nitro-benzothiophene-2-carboxamide Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN(C)C(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)CN(C)C(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O4S/c1-16(2,3)17-14(20)9-18(4)15(21)13-8-10-7-11(19(22)23)5-6-12(10)24-13/h5-8H,9H2,1-4H3,(H,17,20)