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

Systemtic Name: 2-[[5-bromanyl-2-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide Openeye Name: 2-[(5-bromo-2-isopentyloxy-benzoyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide CAS Name: 2-[[[[[5-bromo-2-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxamide IUPAC Name: 2-[[5-bromo-2-(3-methylbutoxy)benzoyl]carbamothioylamino]-4,5-dimethylthiophene-3-carboxamide Traditional Name: 2-[(5-bromo-2-isoamoxy-benzoyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxamide Formula: C20H24BrN3O3S2 MolecularWeight: 498.45686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrN3O3S2/c1-10(2)7-8-27-15-6-5-13(21)9-14(15)18(26)23-20(28)24-19-16(17(22)25)11(3)12(4)29-19/h5-6,9-10H,7-8H2,1-4H3,(H2,22,25)(H2,23,24,26,28)