butyl 4-[2-[3-(2-phenylethanoylamino)phenyl]sulfanylbutanoylamino]benzoate

Systemtic Name: butyl 4-[2-[3-(2-phenylethanoylamino)phenyl]sulfanylbutanoylamino]benzoate Openeye Name: butyl 4-[2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanoylamino]benzoate CAS Name: 4-[[1-oxo-2-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]thio]butyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[[3-[(2-phenylacetyl)amino]phenyl]thio]butanoylamino]benzoic acid butyl ester Formula: C29H32N2O4S MolecularWeight: 504.64038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC)SC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C29H32N2O4S/c1-3-5-18-35-29(34)22-14-16-23(17-15-22)31-28(33)26(4-2)36-25-13-9-12-24(20-25)30-27(32)19-21-10-7-6-8-11-21/h6-17,20,26H,3-5,18-19H2,1-2H3,(H,30,32)(H,31,33)