2-[[2,2,2-tris(chloranyl)-1-[(2-nitrophenyl)carbonylamino]ethyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[2,2,2-tris(chloranyl)-1-[(2-nitrophenyl)carbonylamino]ethyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2,2,2-trichloro-1-[(2-nitrobenzoyl)amino]ethyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[sulfanylidene-[[2,2,2-trichloro-1-[[(2-nitrophenyl)-oxomethyl]amino]ethyl]amino]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2,2,2-trichloro-1-[(2-nitrobenzoyl)amino]ethyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2,2,2-trichloro-1-[(2-nitrobenzoyl)amino]ethyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H18Cl3N5O4S2 MolecularWeight: 550.86632

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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(=O)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(=O)N

InChI

InChI=1S/C19H18Cl3N5O4S2/c20-19(21,22)17(24-15(29)9-5-1-3-7-11(9)27(30)31)26-18(32)25-16-13(14(23)28)10-6-2-4-8-12(10)33-16/h1,3,5,7,17H,2,4,6,8H2,(H2,23,28)(H,24,29)(H2,25,26,32)