2-[(1-phenyl-3-sulfanyl-propan-2-yl)carbamoylamino]benzoic acid

Systemtic Name: 2-[(1-phenyl-3-sulfanyl-propan-2-yl)carbamoylamino]benzoic acid Openeye Name: 2-[(1-benzyl-2-sulfanyl-ethyl)carbamoylamino]benzoic acid CAS Name: 2-[[[(1-mercapto-3-phenylpropan-2-yl)amino]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[(1-phenyl-3-sulfanylpropan-2-yl)carbamoylamino]benzoic acid Traditional Name: 2-[(1-benzyl-2-mercapto-ethyl)carbamoylamino]benzoic acid Formula: C17H18N2O3S MolecularWeight: 330.40142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)NC(=O)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)NC(=O)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H18N2O3S/c20-16(21)14-8-4-5-9-15(14)19-17(22)18-13(11-23)10-12-6-2-1-3-7-12/h1-9,13,23H,10-11H2,(H,20,21)(H2,18,19,22)