4-[(propan-2-ylcarbamothioylamino)methyl]benzoic acid

Systemtic Name: 4-[(propan-2-ylcarbamothioylamino)methyl]benzoic acid Openeye Name: 4-[(isopropylcarbamothioylamino)methyl]benzoic acid CAS Name: 4-[[[(propan-2-ylamino)-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[(propan-2-ylcarbamothioylamino)methyl]benzoic acid Traditional Name: 4-[(isopropylthiocarbamoylamino)methyl]benzoic acid Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)NC(=S)NCC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C12H16N2O2S/c1-8(2)14-12(17)13-7-9-3-5-10(6-4-9)11(15)16/h3-6,8H,7H2,1-2H3,(H,15,16)(H2,13,14,17)