ethyl 4-methyl-2-(phenylcarbamothioylamino)-5-(phenylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-(phenylcarbamothioylamino)-5-(phenylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-2-(phenylcarbamothioylamino)-5-(phenylcarbamoyl)thiophene-3-carboxylate CAS Name: 5-[anilino(oxo)methyl]-2-[[anilino(sulfanylidene)methyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-(phenylcarbamothioylamino)-5-(phenylcarbamoyl)thiophene-3-carboxylate Traditional Name: 4-methyl-5-(phenylcarbamoyl)-2-(phenylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O3S2/c1-3-28-21(27)17-14(2)18(19(26)23-15-10-6-4-7-11-15)30-20(17)25-22(29)24-16-12-8-5-9-13-16/h4-13H,3H2,1-2H3,(H,23,26)(H2,24,25,29)