2-phenyl-N-[2,2,2-tris(chloranyl)-1-[(2-methylphenyl)carbamothioylamino]ethyl]ethanamide

Systemtic Name: 2-phenyl-N-[2,2,2-tris(chloranyl)-1-[(2-methylphenyl)carbamothioylamino]ethyl]ethanamide Openeye Name: 2-phenyl-N-[2,2,2-trichloro-1-(o-tolylcarbamothioylamino)ethyl]acetamide CAS Name: 2-phenyl-N-[2,2,2-trichloro-1-[[(2-methylanilino)-sulfanylidenemethyl]amino]ethyl]acetamide IUPAC Name: 2-phenyl-N-[2,2,2-trichloro-1-[(2-methylphenyl)carbamothioylamino]ethyl]acetamide Traditional Name: 2-phenyl-N-[2,2,2-trichloro-1-(o-tolylthiocarbamoylamino)ethyl]acetamide Formula: C18H18Cl3N3OS MolecularWeight: 430.77902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H18Cl3N3OS/c1-12-7-5-6-10-14(12)22-17(26)24-16(18(19,20)21)23-15(25)11-13-8-3-2-4-9-13/h2-10,16H,11H2,1H3,(H,23,25)(H2,22,24,26)