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

Systemtic Name: 2-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-5-(thiophen-2-ylcarbonylamino)benzoic acid Openeye Name: 2-[4-[2-(isopropylamino)-2-oxo-ethyl]piperazin-1-yl]-5-(thiophene-2-carbonylamino)benzoic acid CAS Name: 2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-piperazinyl]-5-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid IUPAC Name: 2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]-5-(thiophene-2-carbonylamino)benzoic acid Traditional Name: 2-[4-[2-(isopropylamino)-2-keto-ethyl]piperazino]-5-(2-thenoylamino)benzoic acid Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4S/c1-14(2)22-19(26)13-24-7-9-25(10-8-24)17-6-5-15(12-16(17)21(28)29)23-20(27)18-4-3-11-30-18/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,22,26)(H,23,27)(H,28,29)