4-chloranyl-3-[2-[3-(naphthalen-2-ylcarbonylamino)phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[2-[3-(naphthalen-2-ylcarbonylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-chloro-3-[[2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[2-[[3-[[2-naphthalenyl(oxo)methyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-[[3-(2-naphthoylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C26H19ClN2O4S MolecularWeight: 490.95806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=CC(=CC=C3)SCC(=O)NC4=C(C=CC(=C4)C(=O)O)Cl

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)NC3=CC(=CC=C3)SCC(=O)NC4=C(C=CC(=C4)C(=O)O)Cl

InChI

InChI=1S/C26H19ClN2O4S/c27-22-11-10-19(26(32)33)13-23(22)29-24(30)15-34-21-7-3-6-20(14-21)28-25(31)18-9-8-16-4-1-2-5-17(16)12-18/h1-14H,15H2,(H,28,31)(H,29,30)(H,32,33)