butyl 4-[2-[3-(cyclopropylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: butyl 4-[2-[3-(cyclopropylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoate Openeye Name: butyl 4-[2-[3-(cyclopropanecarbonylamino)phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-(cyclopropanecarbonylamino)phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[3-(cyclopropanecarbonylamino)phenyl]thio]propanoylamino]benzoic acid butyl ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3CC3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3CC3

InChI

InChI=1S/C24H28N2O4S/c1-3-4-14-30-24(29)18-10-12-19(13-11-18)25-22(27)16(2)31-21-7-5-6-20(15-21)26-23(28)17-8-9-17/h5-7,10-13,15-17H,3-4,8-9,14H2,1-2H3,(H,25,27)(H,26,28)