2-[2-(4-tert-butylphenoxy)ethanoylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide

Systemtic Name: 2-[2-(4-tert-butylphenoxy)ethanoylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[2-(4-tert-butylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]-4-methyl-thiophene-3-carboxamide Formula: C26H29N3O3S2 MolecularWeight: 495.65676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)COC2=CC=C(C=C2)C(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)COC2=CC=C(C=C2)C(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C26H29N3O3S2/c1-16-20(14-17-8-6-5-7-9-17)34-24(22(16)23(27)31)29-25(33)28-21(30)15-32-19-12-10-18(11-13-19)26(2,3)4/h5-13H,14-15H2,1-4H3,(H2,27,31)(H2,28,29,30,33)