2-[(5-bromanyl-2-phenethyloxy-phenyl)carbonylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide

Systemtic Name: 2-[(5-bromanyl-2-phenethyloxy-phenyl)carbonylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide Openeye Name: 2-[(5-bromo-2-phenethyloxy-benzoyl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[(5-bromo-2-phenethyloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxamide IUPAC Name: 2-[(5-bromo-2-phenethyloxybenzoyl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxamide Traditional Name: 2-[(5-bromo-2-phenethyloxy-benzoyl)thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide Formula: C24H24BrN3O3S2 MolecularWeight: 546.49966

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3)C

InChI

InChI=1S/C24H24BrN3O3S2/c1-3-17-14(2)33-23(20(17)21(26)29)28-24(32)27-22(30)18-13-16(25)9-10-19(18)31-12-11-15-7-5-4-6-8-15/h4-10,13H,3,11-12H2,1-2H3,(H2,26,29)(H2,27,28,30,32)