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

Systemtic Name: 4-[[(4-propan-2-ylphenyl)carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[(4-isopropylphenyl)carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[(4-propan-2-ylanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(4-propan-2-ylphenyl)carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[(p-cumenylthiocarbamoylamino)methyl]benzoic 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)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C(=O)O

InChI

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