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

Systemtic Name: 2-[(3-bromanyl-4-tert-butyl-phenyl)carbonylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[(3-bromo-4-tert-butyl-benzoyl)carbamothioylamino]-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[(3-bromo-4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[(3-bromo-4-tert-butylbenzoyl)carbamothioylamino]-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-[(3-bromo-4-tert-butyl-benzoyl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxamide Formula: C25H26BrN3O2S2 MolecularWeight: 544.52684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC(=C(C=C2)C(C)(C)C)Br)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC(=C(C=C2)C(C)(C)C)Br)CC3=CC=CC=C3

InChI

InChI=1S/C25H26BrN3O2S2/c1-14-19(12-15-8-6-5-7-9-15)33-23(20(14)21(27)30)29-24(32)28-22(31)16-10-11-17(18(26)13-16)25(2,3)4/h5-11,13H,12H2,1-4H3,(H2,27,30)(H2,28,29,31,32)