2-[(3-bromanyl-4-hexoxy-phenyl)carbonylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide

Systemtic Name: 2-[(3-bromanyl-4-hexoxy-phenyl)carbonylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[(3-bromo-4-hexoxy-benzoyl)carbamothioylamino]-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[(3-bromo-4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[(3-bromo-4-hexoxybenzoyl)carbamothioylamino]-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-[(3-bromo-4-hexoxy-benzoyl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxamide Formula: C27H30BrN3O3S2 MolecularWeight: 588.5794

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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)CC3=CC=CC=C3)C)C(=O)N)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)N)Br

InChI

InChI=1S/C27H30BrN3O3S2/c1-3-4-5-9-14-34-21-13-12-19(16-20(21)28)25(33)30-27(35)31-26-23(24(29)32)17(2)22(36-26)15-18-10-7-6-8-11-18/h6-8,10-13,16H,3-5,9,14-15H2,1-2H3,(H2,29,32)(H2,30,31,33,35)