N-tert-butyl-3-chloranyl-7-[(2-chloranyl-5-iodanyl-phenyl)carbonylcarbamothioylamino]-1-benzothiophene-2-carboxamide

Systemtic Name: N-tert-butyl-3-chloranyl-7-[(2-chloranyl-5-iodanyl-phenyl)carbonylcarbamothioylamino]-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-[(2-chloro-5-iodo-benzoyl)carbamothioylamino]benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[[[(2-chloro-5-iodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-[(2-chloro-5-iodobenzoyl)carbamothioylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-3-chloro-7-[(2-chloro-5-iodo-benzoyl)thiocarbamoylamino]benzothiophene-2-carboxamide Formula: C21H18Cl2IN3O2S2 MolecularWeight: 606.32699

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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)C3=C(C=CC(=C3)I)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H18Cl2IN3O2S2/c1-21(2,3)27-19(29)17-15(23)11-5-4-6-14(16(11)31-17)25-20(30)26-18(28)12-9-10(24)7-8-13(12)22/h4-9H,1-3H3,(H,27,29)(H2,25,26,28,30)