3-[2-[3-(thiophen-2-ylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid

Systemtic Name: 3-[2-[3-(thiophen-2-ylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 3-[2-[3-(thiophene-2-carbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 3-[[1-oxo-2-[[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]thio]butyl]amino]benzoic acid IUPAC Name: 3-[2-[3-(thiophene-2-carbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 3-[2-[[3-(2-thenoylamino)phenyl]thio]butanoylamino]benzoic acid Formula: C22H20N2O4S2 MolecularWeight: 440.5352

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=CC=CC(=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=CC=CC(=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H20N2O4S2/c1-2-18(20(25)23-15-7-3-6-14(12-15)22(27)28)30-17-9-4-8-16(13-17)24-21(26)19-10-5-11-29-19/h3-13,18H,2H2,1H3,(H,23,25)(H,24,26)(H,27,28)