2-[[5-bromanyl-2-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[5-bromanyl-2-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(5-bromo-2-isopentyloxy-benzoyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[[[5-bromo-2-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[5-bromo-2-(3-methylbutoxy)benzoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(5-bromo-2-isoamoxy-benzoyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H26BrN3O3S2 MolecularWeight: 524.49414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C22H26BrN3O3S2/c1-12(2)9-10-29-16-8-7-13(23)11-15(16)20(28)25-22(30)26-21-18(19(24)27)14-5-3-4-6-17(14)31-21/h7-8,11-12H,3-6,9-10H2,1-2H3,(H2,24,27)(H2,25,26,28,30)