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

Systemtic Name: ethyl 5-(phenylmethyl)-2-(pyridin-3-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(3-pyridylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[(3-pyridinylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(pyridin-3-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(3-pyridylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C20H19N3O2S2 MolecularWeight: 397.51376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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