N-[2,2,2-tris(chloranyl)-1-[(4-methylphenyl)carbamothioylamino]ethyl]pentadecanamide

Systemtic Name: N-[2,2,2-tris(chloranyl)-1-[(4-methylphenyl)carbamothioylamino]ethyl]pentadecanamide Openeye Name: N-[2,2,2-trichloro-1-(p-tolylcarbamothioylamino)ethyl]pentadecanamide CAS Name: N-[2,2,2-trichloro-1-[[(4-methylanilino)-sulfanylidenemethyl]amino]ethyl]pentadecanamide IUPAC Name: N-[2,2,2-trichloro-1-[(4-methylphenyl)carbamothioylamino]ethyl]pentadecanamide Traditional Name: N-[2,2,2-trichloro-1-(p-tolylthiocarbamoylamino)ethyl]pentadecanamide Formula: C25H40Cl3N3OS MolecularWeight: 537.0286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40Cl3N3OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22(32)30-23(25(26,27)28)31-24(33)29-21-18-16-20(2)17-19-21/h16-19,23H,3-15H2,1-2H3,(H,30,32)(H2,29,31,33)