4-[(4-propan-2-ylphenyl)carbamothioylamino]benzoic acid

Systemtic Name: 4-[(4-propan-2-ylphenyl)carbamothioylamino]benzoic acid Openeye Name: 4-[(4-isopropylphenyl)carbamothioylamino]benzoic acid CAS Name: 4-[[(4-propan-2-ylanilino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-[(4-propan-2-ylphenyl)carbamothioylamino]benzoic acid Traditional Name: 4-(p-cumenylthiocarbamoylamino)benzoic acid Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O2S/c1-11(2)12-3-7-14(8-4-12)18-17(22)19-15-9-5-13(6-10-15)16(20)21/h3-11H,1-2H3,(H,20,21)(H2,18,19,22)