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

Systemtic Name: 4-chloranyl-3-[2-[4-(naphthalen-2-ylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-chloro-3-[2-[4-(naphthalene-2-carbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 4-chloro-3-[[2-[[4-[[2-naphthalenyl(oxo)methyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[2-[4-(naphthalene-2-carbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-chloro-3-[2-[[4-(2-naphthoylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C27H21ClN2O4S MolecularWeight: 504.98464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)SC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)SC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H21ClN2O4S/c1-16(25(31)30-24-15-20(27(33)34)8-13-23(24)28)35-22-11-9-21(10-12-22)29-26(32)19-7-6-17-4-2-3-5-18(17)14-19/h2-16H,1H3,(H,29,32)(H,30,31)(H,33,34)