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

Systemtic Name: N-tert-butyl-3-chloranyl-7-(2,2-diphenylethanoylcarbamothioylamino)-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-[(2,2-diphenylacetyl)carbamothioylamino]benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-[(2,2-diphenylacetyl)carbamothioylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-3-chloro-7-[(2,2-diphenylacetyl)thiocarbamoylamino]benzothiophene-2-carboxamide Formula: C28H26ClN3O2S2 MolecularWeight: 536.10794

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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)C(C3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=S)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C28H26ClN3O2S2/c1-28(2,3)32-26(34)24-22(29)19-15-10-16-20(23(19)36-24)30-27(35)31-25(33)21(17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-16,21H,1-3H3,(H,32,34)(H2,30,31,33,35)