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

Systemtic Name: butyl 4-[[2-[4-(cyclopropylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: butyl 4-[[2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 4-[[2-[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-(cyclopropanecarbonylamino)phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid butyl ester Formula: C29H30N2O4S MolecularWeight: 502.6245

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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)C4CC4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4CC4

InChI

InChI=1S/C29H30N2O4S/c1-2-3-19-35-29(34)22-11-13-23(14-12-22)31-28(33)26(20-7-5-4-6-8-20)36-25-17-15-24(16-18-25)30-27(32)21-9-10-21/h4-8,11-18,21,26H,2-3,9-10,19H2,1H3,(H,30,32)(H,31,33)