ethyl 4-(2-ethylhexylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(2-ethylhexylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(2-ethylhexylcarbamothioylamino)benzoate CAS Name: 4-[[(2-ethylhexylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(2-ethylhexylcarbamothioylamino)benzoate Traditional Name: 4-(2-ethylhexylthiocarbamoylamino)benzoic acid ethyl ester Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NC1=CC=C(C=C1)C(=O)OCC

Isomeric SMILES

CCCCC(CC)CNC(=S)NC1=CC=C(C=C1)C(=O)OCC

InChI

InChI=1S/C18H28N2O2S/c1-4-7-8-14(5-2)13-19-18(23)20-16-11-9-15(10-12-16)17(21)22-6-3/h9-12,14H,4-8,13H2,1-3H3,(H2,19,20,23)