ethyl 4-(dodecanoylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(dodecanoylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(dodecanoylcarbamothioylamino)benzoate CAS Name: 4-[[(1-oxododecylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(dodecanoylcarbamothioylamino)benzoate Traditional Name: 4-(lauroylthiocarbamoylamino)benzoic acid ethyl ester Formula: C22H34N2O3S MolecularWeight: 406.58196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)OCC

InChI

InChI=1S/C22H34N2O3S/c1-3-5-6-7-8-9-10-11-12-13-20(25)24-22(28)23-19-16-14-18(15-17-19)21(26)27-4-2/h14-17H,3-13H2,1-2H3,(H2,23,24,25,28)