4-methyl-2-(phenylcarbonylcarbamothioylamino)pentanoic acid

Systemtic Name: 4-methyl-2-(phenylcarbonylcarbamothioylamino)pentanoic acid Openeye Name: 2-(benzoylcarbamothioylamino)-4-methyl-pentanoic acid CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-4-methylpentanoic acid IUPAC Name: 2-(benzoylcarbamothioylamino)-4-methylpentanoic acid Traditional Name: 2-(benzoylthiocarbamoylamino)-4-methyl-valeric acid Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3S/c1-9(2)8-11(13(18)19)15-14(20)16-12(17)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,18,19)(H2,15,16,17,20)