butyl 4-[[2-phenyl-2-[3-(2-phenylethanoylamino)phenyl]sulfanyl-ethanoyl]amino]benzoate

Systemtic Name: butyl 4-[[2-phenyl-2-[3-(2-phenylethanoylamino)phenyl]sulfanyl-ethanoyl]amino]benzoate Openeye Name: butyl 4-[[2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]thio]-2-phenylethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-phenyl-2-[[3-[(2-phenylacetyl)amino]phenyl]thio]acetyl]amino]benzoic acid butyl ester Formula: C33H32N2O4S MolecularWeight: 552.68318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H32N2O4S/c1-2-3-21-39-33(38)26-17-19-27(20-18-26)35-32(37)31(25-13-8-5-9-14-25)40-29-16-10-15-28(23-29)34-30(36)22-24-11-6-4-7-12-24/h4-20,23,31H,2-3,21-22H2,1H3,(H,34,36)(H,35,37)