2-[(3-bromanyl-4-tert-butyl-phenyl)carbonylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide

Systemtic Name: 2-[(3-bromanyl-4-tert-butyl-phenyl)carbonylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide Openeye Name: 2-[(3-bromo-4-tert-butyl-benzoyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide CAS Name: 2-[[[[(3-bromo-4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxamide IUPAC Name: 2-[(3-bromo-4-tert-butylbenzoyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxamide Traditional Name: 2-[(3-bromo-4-tert-butyl-benzoyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxamide Formula: C19H22BrN3O2S2 MolecularWeight: 468.43088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC(=C(C=C2)C(C)(C)C)Br)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC(=C(C=C2)C(C)(C)C)Br)C

InChI

InChI=1S/C19H22BrN3O2S2/c1-9-10(2)27-17(14(9)15(21)24)23-18(26)22-16(25)11-6-7-12(13(20)8-11)19(3,4)5/h6-8H,1-5H3,(H2,21,24)(H2,22,23,25,26)