methyl 2-[(5-chloranylpyridin-2-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(5-chloranylpyridin-2-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(5-chloro-2-pyridyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(5-chloro-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(5-chloropyridin-2-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(5-chloro-2-pyridyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C19H16ClN3O2S2 MolecularWeight: 417.93224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN3O2S2/c1-25-18(24)15-10-14(9-12-5-3-2-4-6-12)27-17(15)23-19(26)22-16-8-7-13(20)11-21-16/h2-8,10-11H,9H2,1H3,(H2,21,22,23,26)