ethyl 4-(octylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(octylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(octylcarbamothioylamino)benzoate CAS Name: 4-[[(octylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(octylcarbamothioylamino)benzoate Traditional Name: 4-(octylthiocarbamoylamino)benzoic acid ethyl ester Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O2S/c1-3-5-6-7-8-9-14-19-18(23)20-16-12-10-15(11-13-16)17(21)22-4-2/h10-13H,3-9,14H2,1-2H3,(H2,19,20,23)