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

Systemtic Name: ethyl 3-[octanoylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl(octanoylcarbamothioyl)amino]propanoate CAS Name: 3-[[(1-oxooctylamino)-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl(octanoylcarbamothioyl)amino]propanoate Traditional Name: 3-[benzyl(caprylylthiocarbamoyl)amino]propionic acid ethyl ester Formula: C21H32N2O3S MolecularWeight: 392.55538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O3S/c1-3-5-6-7-11-14-19(24)22-21(27)23(16-15-20(25)26-4-2)17-18-12-9-8-10-13-18/h8-10,12-13H,3-7,11,14-17H2,1-2H3,(H,22,24,27)