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

Systemtic Name: 4-methyl-2-[2-(2-methylphenyl)ethanoylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-4-methyl-2-[[2-(o-tolyl)acetyl]carbamothioylamino]thiophene-3-carboxamide CAS Name: 4-methyl-2-[[[[2-(2-methylphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-4-methyl-2-[[2-(2-methylphenyl)acetyl]carbamothioylamino]thiophene-3-carboxamide Traditional Name: 5-benzyl-4-methyl-2-[[2-(o-tolyl)acetyl]thiocarbamoylamino]thiophene-3-carboxamide Formula: C23H23N3O2S2 MolecularWeight: 437.57762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)NC(=S)NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)N

Isomeric SMILES

CC1=CC=CC=C1CC(=O)NC(=S)NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)N

InChI

InChI=1S/C23H23N3O2S2/c1-14-8-6-7-11-17(14)13-19(27)25-23(29)26-22-20(21(24)28)15(2)18(30-22)12-16-9-4-3-5-10-16/h3-11H,12-13H2,1-2H3,(H2,24,28)(H2,25,26,27,29)