4-(hexadecylcarbamothioylamino)benzoic acid

Systemtic Name: 4-(hexadecylcarbamothioylamino)benzoic acid Openeye Name: 4-(hexadecylcarbamothioylamino)benzoic acid CAS Name: 4-[[(hexadecylamino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-(hexadecylcarbamothioylamino)benzoic acid Traditional Name: 4-(cetylthiocarbamoylamino)benzoic acid Formula: C24H40N2O2S MolecularWeight: 420.6516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)NC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=S)NC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C24H40N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-24(29)26-22-18-16-21(17-19-22)23(27)28/h16-19H,2-15,20H2,1H3,(H,27,28)(H2,25,26,29)