(2S)-3-methyl-2-[phenylcarbonylcarbamothioyl-(phenylmethyl)amino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[phenylcarbonylcarbamothioyl-(phenylmethyl)amino]butanoic acid Openeye Name: (2S)-2-[benzoylcarbamothioyl(benzyl)amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[benzamido(sulfanylidene)methyl]-(phenylmethyl)amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[benzoylcarbamothioyl(benzyl)amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[benzoylthiocarbamoyl(benzyl)amino]-3-methyl-butyric acid Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)O)N(CC1=CC=CC=C1)C(=S)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H22N2O3S/c1-14(2)17(19(24)25)22(13-15-9-5-3-6-10-15)20(26)21-18(23)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H,24,25)(H,21,23,26)/t17-/m0/s1