3-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]benzoic acid

Systemtic Name: 3-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]benzoic acid Openeye Name: 3-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]benzoic acid CAS Name: 3-[[[[(4-tert-butylphenyl)methylamino]-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 3-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]benzoic acid Traditional Name: 3-[[(4-tert-butylbenzyl)thiocarbamoylamino]methyl]benzoic acid Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2S/c1-20(2,3)17-9-7-14(8-10-17)12-21-19(25)22-13-15-5-4-6-16(11-15)18(23)24/h4-11H,12-13H2,1-3H3,(H,23,24)(H2,21,22,25)