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

Systemtic Name: 4-methyl-3-[[2-phenyl-2-[3-(2-phenylethanoylamino)phenyl]sulfanyl-ethanoyl]amino]benzoic acid Openeye Name: 4-methyl-3-[[2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-acetyl]amino]benzoic acid CAS Name: 4-methyl-3-[[1-oxo-2-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]thio]-2-phenylethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-methyl-3-[[2-phenyl-2-[[3-[(2-phenylacetyl)amino]phenyl]thio]acetyl]amino]benzoic acid Formula: C30H26N2O4S MolecularWeight: 510.60344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C30H26N2O4S/c1-20-15-16-23(30(35)36)18-26(20)32-29(34)28(22-11-6-3-7-12-22)37-25-14-8-13-24(19-25)31-27(33)17-21-9-4-2-5-10-21/h2-16,18-19,28H,17H2,1H3,(H,31,33)(H,32,34)(H,35,36)