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

Systemtic Name: 4-methoxy-N-[2,2,2-tris(chloranyl)-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]ethyl]benzamide Openeye Name: 4-methoxy-N-[2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioylamino]ethyl]benzamide CAS Name: 4-methoxy-N-[2,2,2-trichloro-1-[[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]amino]ethyl]benzamide IUPAC Name: 4-methoxy-N-[2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]ethyl]benzamide Traditional Name: 4-methoxy-N-[2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoylamino]ethyl]benzamide Formula: C20H19Cl3N4O2S2 MolecularWeight: 517.87946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C20H19Cl3N4O2S2/c1-29-12-8-6-11(7-9-12)16(28)25-18(20(21,22)23)27-19(30)26-17-14(10-24)13-4-2-3-5-15(13)31-17/h6-9,18H,2-5H2,1H3,(H,25,28)(H2,26,27,30)