2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-5-(thiophen-2-ylcarbonylamino)benzoic acid

Systemtic Name: 2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]-5-(thiophen-2-ylcarbonylamino)benzoic acid Openeye Name: 2-[4-[2-(tert-butylamino)-2-oxo-ethyl]piperazin-1-yl]-5-(thiophene-2-carbonylamino)benzoic acid CAS Name: 2-[4-[2-(tert-butylamino)-2-oxoethyl]-1-piperazinyl]-5-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid IUPAC Name: 2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-5-(thiophene-2-carbonylamino)benzoic acid Traditional Name: 2-[4-[2-(tert-butylamino)-2-keto-ethyl]piperazino]-5-(2-thenoylamino)benzoic acid Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CS3)C(=O)O

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CS3)C(=O)O

InChI

InChI=1S/C22H28N4O4S/c1-22(2,3)24-19(27)14-25-8-10-26(11-9-25)17-7-6-15(13-16(17)21(29)30)23-20(28)18-5-4-12-31-18/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,28)(H,24,27)(H,29,30)