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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)NC(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)NC(=O)NC2=CC=CC(=C2)C(=O)O

InChI

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