2-[4-[(3-ethanoylphenyl)carbamothioylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(3-ethanoylphenyl)carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[(3-acetylphenyl)carbamothioylamino]phenyl]acetic acid CAS Name: 2-[4-[[(3-acetylanilino)-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[(3-acetylphenyl)carbamothioylamino]phenyl]acetic acid Traditional Name: 2-[4-[(3-acetylphenyl)thiocarbamoylamino]phenyl]acetic acid Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3S/c1-11(20)13-3-2-4-15(10-13)19-17(23)18-14-7-5-12(6-8-14)9-16(21)22/h2-8,10H,9H2,1H3,(H,21,22)(H2,18,19,23)