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

Systemtic Name: 2-nitro-N-[2,2,2-tris(chloranyl)-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]ethyl]benzamide Openeye Name: 2-nitro-N-[2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioylamino]ethyl]benzamide CAS Name: 2-nitro-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-nitro-N-[2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]ethyl]benzamide Traditional Name: 2-nitro-N-[2,2,2-trichloro-1-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoylamino]ethyl]benzamide Formula: C19H16Cl3N5O3S2 MolecularWeight: 532.85104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C3=CC=CC=C3[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C3=CC=CC=C3[N+](=O)[O-])C#N

InChI

InChI=1S/C19H16Cl3N5O3S2/c20-19(21,22)17(24-15(28)11-6-1-3-7-13(11)27(29)30)26-18(31)25-16-12(9-23)10-5-2-4-8-14(10)32-16/h1,3,6-7,17H,2,4-5,8H2,(H,24,28)(H2,25,26,31)