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

Systemtic Name: 7-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]-N-tert-butyl-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: 7-[(3-bromo-4-methoxy-benzoyl)carbamothioylamino]-N-tert-butyl-3-chloro-benzothiophene-2-carboxamide CAS Name: 7-[[[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-tert-butyl-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: 7-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]-N-tert-butyl-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: 7-[(3-bromo-4-methoxy-benzoyl)thiocarbamoylamino]-N-tert-butyl-3-chloro-benzothiophene-2-carboxamide Formula: C22H21BrClN3O3S2 MolecularWeight: 554.90744

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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)OC)Br)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)OC)Br)Cl

InChI

InChI=1S/C22H21BrClN3O3S2/c1-22(2,3)27-20(29)18-16(24)12-6-5-7-14(17(12)32-18)25-21(31)26-19(28)11-8-9-15(30-4)13(23)10-11/h5-10H,1-4H3,(H,27,29)(H2,25,26,28,31)