methyl 5-(phenylmethyl)-2-(pyridin-4-ylmethylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-(phenylmethyl)-2-(pyridin-4-ylmethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(4-pyridylmethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[(pyridin-4-ylmethylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(pyridin-4-ylmethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(4-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=CC=NC=C3

Isomeric SMILES

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

InChI

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