ethyl 2-[(4,6-dimethylpyridin-2-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4,6-dimethylpyridin-2-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(4,6-dimethyl-2-pyridyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(4,6-dimethyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(4,6-dimethylpyridin-2-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4,6-dimethyl-2-pyridyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H23N3O2S2 MolecularWeight: 425.56692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC(=CC(=N3)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC(=CC(=N3)C)C

InChI

InChI=1S/C22H23N3O2S2/c1-4-27-21(26)18-13-17(12-16-8-6-5-7-9-16)29-20(18)25-22(28)24-19-11-14(2)10-15(3)23-19/h5-11,13H,4,12H2,1-3H3,(H2,23,24,25,28)