ethyl 4-(dodecylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(dodecylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(dodecylcarbamothioylamino)benzoate CAS Name: 4-[[(dodecylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(dodecylcarbamothioylamino)benzoate Traditional Name: 4-(laurylthiocarbamoylamino)benzoic acid ethyl ester Formula: C22H36N2O2S MolecularWeight: 392.59844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=S)NC1=CC=C(C=C1)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCNC(=S)NC1=CC=C(C=C1)C(=O)OCC

InChI

InChI=1S/C22H36N2O2S/c1-3-5-6-7-8-9-10-11-12-13-18-23-22(27)24-20-16-14-19(15-17-20)21(25)26-4-2/h14-17H,3-13,18H2,1-2H3,(H2,23,24,27)