N-tert-butyl-3-chloranyl-7-(2-phenylethanoylcarbamothioylamino)-1-benzothiophene-2-carboxamide

Systemtic Name: N-tert-butyl-3-chloranyl-7-(2-phenylethanoylcarbamothioylamino)-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-[(2-phenylacetyl)carbamothioylamino]benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-[(2-phenylacetyl)carbamothioylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-3-chloro-7-[(2-phenylacetyl)thiocarbamoylamino]benzothiophene-2-carboxamide Formula: C22H22ClN3O2S2 MolecularWeight: 460.01198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=S)NC(=O)CC3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=S)NC(=O)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H22ClN3O2S2/c1-22(2,3)26-20(28)19-17(23)14-10-7-11-15(18(14)30-19)24-21(29)25-16(27)12-13-8-5-4-6-9-13/h4-11H,12H2,1-3H3,(H,26,28)(H2,24,25,27,29)