2-[4-[(4-propan-2-ylphenyl)carbamothioylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(4-propan-2-ylphenyl)carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[(4-isopropylphenyl)carbamothioylamino]phenyl]acetic acid CAS Name: 2-[4-[[(4-propan-2-ylanilino)-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[(4-propan-2-ylphenyl)carbamothioylamino]phenyl]acetic acid Traditional Name: 2-[4-(p-cumenylthiocarbamoylamino)phenyl]acetic acid Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O2S/c1-12(2)14-5-9-16(10-6-14)20-18(23)19-15-7-3-13(4-8-15)11-17(21)22/h3-10,12H,11H2,1-2H3,(H,21,22)(H2,19,20,23)