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

Systemtic Name: 4-[2-[3-(cyclopropylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 4-[2-[3-(cyclopropanecarbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 4-[[2-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-[2-[3-(cyclopropanecarbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 4-[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=C(C=C1)C(=O)O)SC2=CC=CC(=C2)NC(=O)C3CC3

Isomeric SMILES

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

InChI

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