3-[2-[3-(cyclopropylcarbonylamino)phenyl]sulfanylbutanoylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[2-[3-(cyclopropylcarbonylamino)phenyl]sulfanylbutanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[2-[3-(cyclopropanecarbonylamino)phenyl]sulfanylbutanoylamino]-4-methyl-benzoic acid CAS Name: 3-[[2-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]thio]-1-oxobutyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[2-[3-(cyclopropanecarbonylamino)phenyl]sulfanylbutanoylamino]-4-methylbenzoic acid Traditional Name: 3-[2-[[3-(cyclopropanecarbonylamino)phenyl]thio]butanoylamino]-4-methyl-benzoic acid Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)C)SC2=CC=CC(=C2)NC(=O)C3CC3

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)C)SC2=CC=CC(=C2)NC(=O)C3CC3

InChI

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