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

Systemtic Name: 3-[2-[3-(cyclopropylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 3-[2-[3-(cyclopropanecarbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 3-[[2-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[2-[3-(cyclopropanecarbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 3-[2-[[3-(cyclopropanecarbonylamino)phenyl]thio]butanoylamino]benzoic acid Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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