ethyl 3-[3-methylbutanoylcarbamothioyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[3-methylbutanoylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl(3-methylbutanoylcarbamothioyl)amino]propanoate CAS Name: 3-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl(3-methylbutanoylcarbamothioyl)amino]propanoate Traditional Name: 3-[benzyl(isovalerylthiocarbamoyl)amino]propionic acid ethyl ester Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)CC(C)C

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)CC(C)C

InChI

InChI=1S/C18H26N2O3S/c1-4-23-17(22)10-11-20(13-15-8-6-5-7-9-15)18(24)19-16(21)12-14(2)3/h5-9,14H,4,10-13H2,1-3H3,(H,19,21,24)