2-methyl-N-[2,2,2-tris(chloranyl)-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]ethyl]benzamide

Systemtic Name: 2-methyl-N-[2,2,2-tris(chloranyl)-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]ethyl]benzamide Openeye Name: 2-methyl-N-[2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioylamino]ethyl]benzamide CAS Name: 2-methyl-N-[2,2,2-trichloro-1-[[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]amino]ethyl]benzamide IUPAC Name: 2-methyl-N-[2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]ethyl]benzamide Traditional Name: 2-methyl-N-[2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoylamino]ethyl]benzamide Formula: C20H19Cl3N4OS2 MolecularWeight: 501.88006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C20H19Cl3N4OS2/c1-11-6-2-3-7-12(11)16(28)25-18(20(21,22)23)27-19(29)26-17-14(10-24)13-8-4-5-9-15(13)30-17/h2-3,6-7,18H,4-5,8-9H2,1H3,(H,25,28)(H2,26,27,29)