ethyl 4-(cyclododecylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(cyclododecylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(cyclododecylcarbamothioylamino)benzoate CAS Name: 4-[[(cyclododecylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(cyclododecylcarbamothioylamino)benzoate Traditional Name: 4-(cyclododecylthiocarbamoylamino)benzoic acid ethyl ester Formula: C22H34N2O2S MolecularWeight: 390.58256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2CCCCCCCCCCC2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2CCCCCCCCCCC2

InChI

InChI=1S/C22H34N2O2S/c1-2-26-21(25)18-14-16-20(17-15-18)24-22(27)23-19-12-10-8-6-4-3-5-7-9-11-13-19/h14-17,19H,2-13H2,1H3,(H2,23,24,27)