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

Systemtic Name: 2-[[3-bromanyl-4-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide Openeye Name: 2-[(3-bromo-4-isopentyloxy-benzoyl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[[3-bromo-4-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxamide IUPAC Name: 2-[[3-bromo-4-(3-methylbutoxy)benzoyl]carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxamide Traditional Name: 2-[(3-bromo-4-isoamoxy-benzoyl)thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxamide Formula: C21H26BrN3O3S2 MolecularWeight: 512.48344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrN3O3S2/c1-5-14-12(4)30-20(17(14)18(23)26)25-21(29)24-19(27)13-6-7-16(15(22)10-13)28-9-8-11(2)3/h6-7,10-11H,5,8-9H2,1-4H3,(H2,23,26)(H2,24,25,27,29)