ethyl 4-ethyl-5-methyl-2-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-ethyl-5-methyl-2-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-ethyl-5-methyl-2-[[4-(4-pyridylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-5-methyl-2-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[[4-(4-pyridylmethyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C23H25N3O2S2 MolecularWeight: 439.5935

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3)C

InChI

InChI=1S/C23H25N3O2S2/c1-4-19-15(3)30-21(20(19)22(27)28-5-2)26-23(29)25-18-8-6-16(7-9-18)14-17-10-12-24-13-11-17/h6-13H,4-5,14H2,1-3H3,(H2,25,26,29)