methyl 5-(phenylmethyl)-2-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-(phenylmethyl)-2-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(3-pyridylmethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[(3-pyridinylmethylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(3-pyridylmethylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C20H19N3O2S2 MolecularWeight: 397.51376

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC3=CN=CC=C3

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC3=CN=CC=C3

InChI

InChI=1S/C20H19N3O2S2/c1-25-19(24)17-11-16(10-14-6-3-2-4-7-14)27-18(17)23-20(26)22-13-15-8-5-9-21-12-15/h2-9,11-12H,10,13H2,1H3,(H2,22,23,26)