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

Systemtic Name: methyl 5-(phenylmethyl)-2-(pyridin-4-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(4-pyridylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[(pyridin-4-ylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(pyridin-4-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(4-pyridylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C19H17N3O2S2 MolecularWeight: 383.48718

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=NC=C3

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=NC=C3

InChI

InChI=1S/C19H17N3O2S2/c1-24-18(23)16-12-15(11-13-5-3-2-4-6-13)26-17(16)22-19(25)21-14-7-9-20-10-8-14/h2-10,12H,11H2,1H3,(H2,20,21,22,25)