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

Systemtic Name: 4-chloranyl-3-[2-[3-(naphthalen-2-ylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 4-chloro-3-[2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 4-chloro-3-[[2-[[3-[[2-naphthalenyl(oxo)methyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 4-chloro-3-[2-[[3-(2-naphthoylamino)phenyl]thio]butanoylamino]benzoic acid Formula: C28H23ClN2O4S MolecularWeight: 519.01122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H23ClN2O4S/c1-2-25(27(33)31-24-15-20(28(34)35)12-13-23(24)29)36-22-9-5-8-21(16-22)30-26(32)19-11-10-17-6-3-4-7-18(17)14-19/h3-16,25H,2H2,1H3,(H,30,32)(H,31,33)(H,34,35)