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

Systemtic Name: ethyl 3-[hexanoylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl(hexanoylcarbamothioyl)amino]propanoate CAS Name: 3-[[(1-oxohexylamino)-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl(hexanoylcarbamothioyl)amino]propanoate Traditional Name: 3-[benzyl(caproylthiocarbamoyl)amino]propionic acid ethyl ester Formula: C19H28N2O3S MolecularWeight: 364.50222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)N(CCC(=O)OCC)CC1=CC=CC=C1

Isomeric SMILES

CCCCCC(=O)NC(=S)N(CCC(=O)OCC)CC1=CC=CC=C1

InChI

InChI=1S/C19H28N2O3S/c1-3-5-7-12-17(22)20-19(25)21(14-13-18(23)24-4-2)15-16-10-8-6-9-11-16/h6,8-11H,3-5,7,12-15H2,1-2H3,(H,20,22,25)