methyl 5-methyl-4-phenyl-2-(1-pyridin-4-ylethylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-4-phenyl-2-(1-pyridin-4-ylethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-[1-(4-pyridyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[(1-pyridin-4-ylethylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-(1-pyridin-4-ylethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[1-(4-pyridyl)ethylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC(C)C2=CC=NC=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC(C)C2=CC=NC=C2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2S2/c1-13(15-9-11-22-12-10-15)23-21(27)24-19-18(20(25)26-3)17(14(2)28-19)16-7-5-4-6-8-16/h4-13H,1-3H3,(H2,23,24,27)