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

Systemtic Name: N-[4-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonylphenyl]thiophene-2-carboxamide Openeye Name: N-[4-[4-[2-(tert-butylamino)-2-oxo-ethyl]piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[4-[2-(tert-butylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[4-[2-(tert-butylamino)-2-keto-ethyl]piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Formula: C22H29N4O3S+ MolecularWeight: 429.55566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H28N4O3S/c1-22(2,3)24-19(27)15-25-10-12-26(13-11-25)21(29)16-6-8-17(9-7-16)23-20(28)18-5-4-14-30-18/h4-9,14H,10-13,15H2,1-3H3,(H,23,28)(H,24,27)/p+1