N-[1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-tris(chloranyl)ethyl]hexadecanamide

Systemtic Name: N-[1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-tris(chloranyl)ethyl]hexadecanamide Openeye Name: N-[1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-trichloro-ethyl]hexadecanamide CAS Name: N-[1-[[(4-acetamidoanilino)-sulfanylidenemethyl]amino]-2,2,2-trichloroethyl]hexadecanamide IUPAC Name: N-[1-[(4-acetamidophenyl)carbamothioylamino]-2,2,2-trichloroethyl]hexadecanamide Traditional Name: N-[1-[(4-acetamidophenyl)thiocarbamoylamino]-2,2,2-trichloro-ethyl]palmitamide Formula: C27H43Cl3N4O2S MolecularWeight: 594.07992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=C(C=C1)NC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=C(C=C1)NC(=O)C

InChI

InChI=1S/C27H43Cl3N4O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(36)33-25(27(28,29)30)34-26(37)32-23-19-17-22(18-20-23)31-21(2)35/h17-20,25H,3-16H2,1-2H3,(H,31,35)(H,33,36)(H2,32,34,37)