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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O4S/c1-3-4-15-30-24(29)18-7-9-19(10-8-18)25-22(27)16(2)31-21-13-11-20(12-14-21)26-23(28)17-5-6-17/h7-14,16-17H,3-6,15H2,1-2H3,(H,25,27)(H,26,28)