4-chloranyl-3-[[2-[4-(naphthalen-2-ylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid

Systemtic Name: 4-chloranyl-3-[[2-[4-(naphthalen-2-ylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid Openeye Name: 4-chloro-3-[[2-[4-(naphthalene-2-carbonylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[2-[[4-[[2-naphthalenyl(oxo)methyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-[4-(naphthalene-2-carbonylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-[[4-(2-naphthoylamino)phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid Formula: C32H23ClN2O4S MolecularWeight: 567.05402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=CC(=C2)C(=O)O)Cl)SC3=CC=C(C=C3)NC(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=C(C=CC(=C2)C(=O)O)Cl)SC3=CC=C(C=C3)NC(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C32H23ClN2O4S/c33-27-17-12-24(32(38)39)19-28(27)35-31(37)29(21-7-2-1-3-8-21)40-26-15-13-25(14-16-26)34-30(36)23-11-10-20-6-4-5-9-22(20)18-23/h1-19,29H,(H,34,36)(H,35,37)(H,38,39)