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

Systemtic Name: 2-[(3-bromanyl-4-hexoxy-phenyl)carbonylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide Openeye Name: 2-[(3-bromo-4-hexoxy-benzoyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide CAS Name: 2-[[[[(3-bromo-4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxamide IUPAC Name: 2-[(3-bromo-4-hexoxybenzoyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxamide Traditional Name: 2-[(3-bromo-4-hexoxy-benzoyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxamide Formula: C21H26BrN3O3S2 MolecularWeight: 512.48344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)N)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)C)C)C(=O)N)Br

InChI

InChI=1S/C21H26BrN3O3S2/c1-4-5-6-7-10-28-16-9-8-14(11-15(16)22)19(27)24-21(29)25-20-17(18(23)26)12(2)13(3)30-20/h8-9,11H,4-7,10H2,1-3H3,(H2,23,26)(H2,24,25,27,29)