2-[2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[4-[2-(tert-butylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[4-[2-(tert-butylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[4-[2-(tert-butylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]acetyl]amino]thiophene-3-carboxamide Formula: C17H28N5O3S+ MolecularWeight: 382.50092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)CC(=O)NC2=C(C=CS2)C(=O)N

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)CC(=O)NC2=C(C=CS2)C(=O)N

InChI

InChI=1S/C17H27N5O3S/c1-17(2,3)20-14(24)11-22-7-5-21(6-8-22)10-13(23)19-16-12(15(18)25)4-9-26-16/h4,9H,5-8,10-11H2,1-3H3,(H2,18,25)(H,19,23)(H,20,24)/p+1