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

Systemtic Name: butyl 4-[[2-(3-aminophenyl)sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: butyl 4-[[2-(3-aminophenyl)sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 4-[[2-[(3-aminophenyl)thio]-1-oxo-2-phenylethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(3-aminophenyl)sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3-aminophenyl)thio]-2-phenyl-acetyl]amino]benzoic acid butyl ester Formula: C25H26N2O3S MolecularWeight: 434.55054

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O3S/c1-2-3-16-30-25(29)19-12-14-21(15-13-19)27-24(28)23(18-8-5-4-6-9-18)31-22-11-7-10-20(26)17-22/h4-15,17,23H,2-3,16,26H2,1H3,(H,27,28)