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

Systemtic Name: butyl 4-[[2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-ethanoyl]amino]benzoate Openeye Name: butyl 4-[[2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-acetyl]amino]benzoate CAS Name: 4-[[2-[[4-[[anilino(oxo)methyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-phenyl-2-[[4-(phenylcarbamoylamino)phenyl]thio]acetyl]amino]benzoic acid butyl ester Formula: C32H31N3O4S MolecularWeight: 553.67124

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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=C(C=C3)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C32H31N3O4S/c1-2-3-22-39-31(37)24-14-16-26(17-15-24)33-30(36)29(23-10-6-4-7-11-23)40-28-20-18-27(19-21-28)35-32(38)34-25-12-8-5-9-13-25/h4-21,29H,2-3,22H2,1H3,(H,33,36)(H2,34,35,38)