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

Systemtic Name: N-tert-butyl-3-chloranyl-7-[2-(4-chlorophenyl)ethanoylcarbamothioylamino]-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-3-chloro-7-[[2-(4-chlorophenyl)acetyl]thiocarbamoylamino]benzothiophene-2-carboxamide Formula: C22H21Cl2N3O2S2 MolecularWeight: 494.45704

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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=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H21Cl2N3O2S2/c1-22(2,3)27-20(29)19-17(24)14-5-4-6-15(18(14)31-19)25-21(30)26-16(28)11-12-7-9-13(23)10-8-12/h4-10H,11H2,1-3H3,(H,27,29)(H2,25,26,28,30)