N-tert-butyl-3-chloranyl-7-[2-(4-chlorophenyl)sulfanylethanoylamino]-1-benzothiophene-2-carboxamide

Systemtic Name: N-tert-butyl-3-chloranyl-7-[2-(4-chlorophenyl)sulfanylethanoylamino]-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-[[2-(4-chlorophenyl)sulfanylacetyl]amino]benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-3-chloro-7-[[2-[(4-chlorophenyl)thio]acetyl]amino]benzothiophene-2-carboxamide Formula: C21H20Cl2N2O2S2 MolecularWeight: 467.4317

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=O)CSC3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)(C)NC(=O)C1=C(C2=C(S1)C(=CC=C2)NC(=O)CSC3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H20Cl2N2O2S2/c1-21(2,3)25-20(27)19-17(23)14-5-4-6-15(18(14)29-19)24-16(26)11-28-13-9-7-12(22)8-10-13/h4-10H,11H2,1-3H3,(H,24,26)(H,25,27)