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

Systemtic Name: methyl 5-(phenylmethyl)-2-(pyridin-3-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(3-pyridylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[(3-pyridinylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(pyridin-3-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

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