methyl 2-[2-[3-(cyclopropylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoate

Systemtic Name: methyl 2-[2-[3-(cyclopropylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoate Openeye Name: methyl 2-[2-[3-(cyclopropanecarbonylamino)phenyl]sulfanylbutanoylamino]benzoate CAS Name: 2-[[2-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[3-(cyclopropanecarbonylamino)phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 2-[2-[[3-(cyclopropanecarbonylamino)phenyl]thio]butanoylamino]benzoic acid methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=O)C3CC3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=O)C3CC3

InChI

InChI=1S/C22H24N2O4S/c1-3-19(21(26)24-18-10-5-4-9-17(18)22(27)28-2)29-16-8-6-7-15(13-16)23-20(25)14-11-12-14/h4-10,13-14,19H,3,11-12H2,1-2H3,(H,23,25)(H,24,26)