4-methyl-2-[(phenylmethyl)carbamothioylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[(phenylmethyl)carbamothioylamino]pentanoic acid Openeye Name: 2-(benzylcarbamothioylamino)-4-methyl-pentanoic acid CAS Name: 4-methyl-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]pentanoic acid IUPAC Name: 2-(benzylcarbamothioylamino)-4-methylpentanoic acid Traditional Name: 2-(benzylthiocarbamoylamino)-4-methyl-valeric acid Formula: C14H20N2O2S MolecularWeight: 280.3858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O2S/c1-10(2)8-12(13(17)18)16-14(19)15-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,17,18)(H2,15,16,19)