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

Systemtic Name: 4-methyl-3-[[2-[4-(naphthalen-2-ylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid Openeye Name: 4-methyl-3-[[2-[4-(naphthalene-2-carbonylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoic acid CAS Name: 4-methyl-3-[[2-[[4-[[2-naphthalenyl(oxo)methyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[2-[4-(naphthalene-2-carbonylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid Traditional Name: 4-methyl-3-[[2-[[4-(2-naphthoylamino)phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid Formula: C33H26N2O4S MolecularWeight: 546.63554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C33H26N2O4S/c1-21-11-12-26(33(38)39)20-29(21)35-32(37)30(23-8-3-2-4-9-23)40-28-17-15-27(16-18-28)34-31(36)25-14-13-22-7-5-6-10-24(22)19-25/h2-20,30H,1H3,(H,34,36)(H,35,37)(H,38,39)