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

Systemtic Name: 4-methyl-3-[2-[3-(naphthalen-2-ylcarbonylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-methyl-3-[[2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-methyl-3-[[2-[[3-[[2-naphthalenyl(oxo)methyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-methyl-3-[[2-[[3-(2-naphthoylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C27H22N2O4S MolecularWeight: 470.53958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=CC(=C2)NC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=CC(=C2)NC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H22N2O4S/c1-17-9-10-21(27(32)33)14-24(17)29-25(30)16-34-23-8-4-7-22(15-23)28-26(31)20-12-11-18-5-2-3-6-19(18)13-20/h2-15H,16H2,1H3,(H,28,31)(H,29,30)(H,32,33)