4-methyl-3-[(4-propan-2-ylphenyl)carbamothioylamino]benzoic acid

Systemtic Name: 4-methyl-3-[(4-propan-2-ylphenyl)carbamothioylamino]benzoic acid Openeye Name: 3-[(4-isopropylphenyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 4-methyl-3-[[(4-propan-2-ylanilino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[(4-propan-2-ylphenyl)carbamothioylamino]benzoic acid Traditional Name: 4-methyl-3-(p-cumenylthiocarbamoylamino)benzoic acid Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O2S/c1-11(2)13-6-8-15(9-7-13)19-18(23)20-16-10-14(17(21)22)5-4-12(16)3/h4-11H,1-3H3,(H,21,22)(H2,19,20,23)