4-methyl-2-(phenylcarbonylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxamide

Systemtic Name: 4-methyl-2-(phenylcarbonylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 2-(benzoylcarbamothioylamino)-5-benzyl-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 2-(benzoylcarbamothioylamino)-5-benzyl-4-methylthiophene-3-carboxamide Traditional Name: 2-(benzoylthiocarbamoylamino)-5-benzyl-4-methyl-thiophene-3-carboxamide Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O2S2/c1-13-16(12-14-8-4-2-5-9-14)28-20(17(13)18(22)25)24-21(27)23-19(26)15-10-6-3-7-11-15/h2-11H,12H2,1H3,(H2,22,25)(H2,23,24,26,27)