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

Systemtic Name: 2-[[1-benzamido-2,2,2-tris(chloranyl)ethyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(1-benzamido-2,2,2-trichloro-ethyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[(1-benzamido-2,2,2-trichloroethyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(1-benzamido-2,2,2-trichloroethyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(1-benzamido-2,2,2-trichloro-ethyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H19Cl3N4O2S2 MolecularWeight: 505.86876

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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)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C19H19Cl3N4O2S2/c20-19(21,22)17(24-15(28)10-6-2-1-3-7-10)26-18(29)25-16-13(14(23)27)11-8-4-5-9-12(11)30-16/h1-3,6-7,17H,4-5,8-9H2,(H2,23,27)(H,24,28)(H2,25,26,29)