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

Systemtic Name: 3-[2-[4-(cyclopropylcarbonylamino)phenyl]sulfanylpropanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[2-[4-(cyclopropanecarbonylamino)phenyl]sulfanylpropanoylamino]-4-methyl-benzoic acid CAS Name: 3-[[2-[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]thio]-1-oxopropyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[2-[4-(cyclopropanecarbonylamino)phenyl]sulfanylpropanoylamino]-4-methylbenzoic acid Traditional Name: 3-[2-[[4-(cyclopropanecarbonylamino)phenyl]thio]propanoylamino]-4-methyl-benzoic acid Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3CC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C3CC3

InChI

InChI=1S/C21H22N2O4S/c1-12-3-4-15(21(26)27)11-18(12)23-19(24)13(2)28-17-9-7-16(8-10-17)22-20(25)14-5-6-14/h3-4,7-11,13-14H,5-6H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)