4-[(1-ethanoylsulfanyl-3-phenyl-propan-2-yl)carbamoylamino]benzoic acid

Systemtic Name: 4-[(1-ethanoylsulfanyl-3-phenyl-propan-2-yl)carbamoylamino]benzoic acid Openeye Name: 4-[[1-(acetylsulfanylmethyl)-2-phenyl-ethyl]carbamoylamino]benzoic acid CAS Name: 4-[[[[1-(acetylthio)-3-phenylpropan-2-yl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(1-acetylsulfanyl-3-phenylpropan-2-yl)carbamoylamino]benzoic acid Traditional Name: 4-[[1-[(acetylthio)methyl]-2-phenyl-ethyl]carbamoylamino]benzoic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)NC(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)NC(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C19H20N2O4S/c1-13(22)26-12-17(11-14-5-3-2-4-6-14)21-19(25)20-16-9-7-15(8-10-16)18(23)24/h2-10,17H,11-12H2,1H3,(H,23,24)(H2,20,21,25)