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

Systemtic Name: 4-chloranyl-3-[2-[4-(naphthalen-2-ylcarbonylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-chloro-3-[[2-[4-(naphthalene-2-carbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[2-[[4-[[2-naphthalenyl(oxo)methyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-[4-(naphthalene-2-carbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-[[4-(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=C(C=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=C(C=C3)SCC(=O)NC4=C(C=CC(=C4)C(=O)O)Cl

InChI

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