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

Systemtic Name: 4-methyl-3-[2-[3-(thiophen-2-ylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 4-methyl-3-[2-[3-(thiophene-2-carbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 4-methyl-3-[[1-oxo-2-[[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]thio]butyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[2-[3-(thiophene-2-carbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 4-methyl-3-[2-[[3-(2-thenoylamino)phenyl]thio]butanoylamino]benzoic acid Formula: C23H22N2O4S2 MolecularWeight: 454.56178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O4S2/c1-3-19(21(26)25-18-12-15(23(28)29)10-9-14(18)2)31-17-7-4-6-16(13-17)24-22(27)20-8-5-11-30-20/h4-13,19H,3H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)