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

Systemtic Name: ethyl 3-[cyclohexylcarbonylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl(cyclohexanecarbonylcarbamothioyl)amino]propanoate CAS Name: 3-[[[[cyclohexyl(oxo)methyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl(cyclohexanecarbonylcarbamothioyl)amino]propanoate Traditional Name: 3-[benzyl(cyclohexanecarbonylthiocarbamoyl)amino]propionic acid ethyl ester Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)C2CCCCC2

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)C2CCCCC2

InChI

InChI=1S/C20H28N2O3S/c1-2-25-18(23)13-14-22(15-16-9-5-3-6-10-16)20(26)21-19(24)17-11-7-4-8-12-17/h3,5-6,9-10,17H,2,4,7-8,11-15H2,1H3,(H,21,24,26)