4,5-dimethyl-2-(2-phenylsulfanylethanoylamino)-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide

Systemtic Name: 4,5-dimethyl-2-(2-phenylsulfanylethanoylamino)-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide Openeye Name: 4,5-dimethyl-2-[(2-phenylsulfanylacetyl)amino]-N-(3-pyridylmethyl)thiophene-3-carboxamide CAS Name: 4,5-dimethyl-2-[[1-oxo-2-(phenylthio)ethyl]amino]-N-(3-pyridinylmethyl)-3-thiophenecarboxamide IUPAC Name: 4,5-dimethyl-2-[(2-phenylsulfanylacetyl)amino]-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide Traditional Name: 4,5-dimethyl-2-[[2-(phenylthio)acetyl]amino]-N-(3-pyridylmethyl)thiophene-3-carboxamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)NCC2=CN=CC=C2)NC(=O)CSC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)NCC2=CN=CC=C2)NC(=O)CSC3=CC=CC=C3)C

InChI

InChI=1S/C21H21N3O2S2/c1-14-15(2)28-21(24-18(25)13-27-17-8-4-3-5-9-17)19(14)20(26)23-12-16-7-6-10-22-11-16/h3-11H,12-13H2,1-2H3,(H,23,26)(H,24,25)