7-[[3,5-bis(chloranyl)-4-methoxy-phenyl]carbonylcarbamothioylamino]-N-tert-butyl-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: 7-[[3,5-bis(chloranyl)-4-methoxy-phenyl]carbonylcarbamothioylamino]-N-tert-butyl-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-tert-butyl-3-chloro-7-[(3,5-dichloro-4-methoxy-benzoyl)carbamothioylamino]benzothiophene-2-carboxamide CAS Name: N-tert-butyl-3-chloro-7-[[[[(3,5-dichloro-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxamide IUPAC Name: N-tert-butyl-3-chloro-7-[(3,5-dichloro-4-methoxybenzoyl)carbamothioylamino]-1-benzothiophene-2-carboxamide Traditional Name: N-tert-butyl-3-chloro-7-[(3,5-dichloro-4-methoxy-benzoyl)thiocarbamoylamino]benzothiophene-2-carboxamide Formula: C22H20Cl3N3O3S2 MolecularWeight: 544.9015

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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=CC(=C(C(=C3)Cl)OC)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H20Cl3N3O3S2/c1-22(2,3)28-20(30)18-15(25)11-6-5-7-14(17(11)33-18)26-21(32)27-19(29)10-8-12(23)16(31-4)13(24)9-10/h5-9H,1-4H3,(H,28,30)(H2,26,27,29,32)