3-[2-(tert-butylcarbamothioylamino)-3-oxidanyl-propyl]benzoic acid

Systemtic Name: 3-[2-(tert-butylcarbamothioylamino)-3-oxidanyl-propyl]benzoic acid Openeye Name: 3-[2-(tert-butylcarbamothioylamino)-3-hydroxy-propyl]benzoic acid CAS Name: 3-[2-[[(tert-butylamino)-sulfanylidenemethyl]amino]-3-hydroxypropyl]benzoic acid IUPAC Name: 3-[2-(tert-butylcarbamothioylamino)-3-hydroxypropyl]benzoic acid Traditional Name: 3-[2-(tert-butylthiocarbamoylamino)-3-hydroxy-propyl]benzoic acid Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NC(CC1=CC=CC(=C1)C(=O)O)CO

Isomeric SMILES

CC(C)(C)NC(=S)NC(CC1=CC=CC(=C1)C(=O)O)CO

InChI

InChI=1S/C15H22N2O3S/c1-15(2,3)17-14(21)16-12(9-18)8-10-5-4-6-11(7-10)13(19)20/h4-7,12,18H,8-9H2,1-3H3,(H,19,20)(H2,16,17,21)