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

Systemtic Name: methyl 5-phenyl-2-(1-pyridin-4-ylethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-[1-(4-pyridyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[(1-pyridin-4-ylethylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-(1-pyridin-4-ylethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[1-(4-pyridyl)ethylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H19N3O2S2 MolecularWeight: 397.51376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=NC=C1)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C1=CC=NC=C1)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H19N3O2S2/c1-13(14-8-10-21-11-9-14)22-20(26)23-18-16(19(24)25-2)12-17(27-18)15-6-4-3-5-7-15/h3-13H,1-2H3,(H2,22,23,26)