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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3S/c1-3-5-11-16(21)19-18(24)20(13-12-17(22)23-4-2)14-15-9-7-6-8-10-15/h6-10H,3-5,11-14H2,1-2H3,(H,19,21,24)