2-[furan-2-ylmethylcarbamothioyl(2-sulfanylethyl)amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[furan-2-ylmethylcarbamothioyl(2-sulfanylethyl)amino]-4-methyl-pentanoic acid Openeye Name: 2-[2-furylmethylcarbamothioyl(2-sulfanylethyl)amino]-4-methyl-pentanoic acid CAS Name: 2-[[(2-furanylmethylamino)-sulfanylidenemethyl]-(2-mercaptoethyl)amino]-4-methylpentanoic acid IUPAC Name: 2-[furan-2-ylmethylcarbamothioyl(2-sulfanylethyl)amino]-4-methylpentanoic acid Traditional Name: 2-[2-furfurylthiocarbamoyl(2-mercaptoethyl)amino]-4-methyl-valeric acid Formula: C14H22N2O3S2 MolecularWeight: 330.46608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(CCS)C(=S)NCC1=CC=CO1

Isomeric SMILES

CC(C)CC(C(=O)O)N(CCS)C(=S)NCC1=CC=CO1

InChI

InChI=1S/C14H22N2O3S2/c1-10(2)8-12(13(17)18)16(5-7-20)14(21)15-9-11-4-3-6-19-11/h3-4,6,10,12,20H,5,7-9H2,1-2H3,(H,15,21)(H,17,18)