3-chloranyl-N-[(1R)-2,2,2-tris(chloranyl)-1-[(2-methylphenyl)carbamothioylamino]ethyl]benzamide

Systemtic Name: 3-chloranyl-N-[(1R)-2,2,2-tris(chloranyl)-1-[(2-methylphenyl)carbamothioylamino]ethyl]benzamide Openeye Name: 3-chloro-N-[(1R)-2,2,2-trichloro-1-(o-tolylcarbamothioylamino)ethyl]benzamide CAS Name: 3-chloro-N-[(1R)-2,2,2-trichloro-1-[[(2-methylanilino)-sulfanylidenemethyl]amino]ethyl]benzamide IUPAC Name: 3-chloro-N-[(1R)-2,2,2-trichloro-1-[(2-methylphenyl)carbamothioylamino]ethyl]benzamide Traditional Name: 3-chloro-N-[(1R)-2,2,2-trichloro-1-(o-tolylthiocarbamoylamino)ethyl]benzamide Formula: C17H15Cl4N3OS MolecularWeight: 451.1975

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N[C@H](C(Cl)(Cl)Cl)NC(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H15Cl4N3OS/c1-10-5-2-3-8-13(10)22-16(26)24-15(17(19,20)21)23-14(25)11-6-4-7-12(18)9-11/h2-9,15H,1H3,(H,23,25)(H2,22,24,26)/t15-/m1/s1