ethyl 3-[(2-hexoxyphenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[(2-hexoxyphenyl)carbonylcarbamothioyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[(2-hexoxybenzoyl)carbamothioyl]amino]propanoate CAS Name: 3-[[[[(2-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[(2-hexoxybenzoyl)carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[(2-hexoxybenzoyl)thiocarbamoyl]amino]propionic acid ethyl ester Formula: C26H34N2O4S MolecularWeight: 470.62416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)N(CCC(=O)OCC)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)N(CCC(=O)OCC)CC2=CC=CC=C2

InChI

InChI=1S/C26H34N2O4S/c1-3-5-6-12-19-32-23-16-11-10-15-22(23)25(30)27-26(33)28(18-17-24(29)31-4-2)20-21-13-8-7-9-14-21/h7-11,13-16H,3-6,12,17-20H2,1-2H3,(H,27,30,33)