3-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-(3,5-dimethylphenyl)thiophene-2-carboxamide

Systemtic Name: 3-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-(3,5-dimethylphenyl)thiophene-2-carboxamide Openeye Name: 3-[(2-acetamido-4-pyridyl)methylsulfanyl]-N-(3,5-dimethylphenyl)thiophene-2-carboxamide CAS Name: 3-[(2-acetamido-4-pyridinyl)methylthio]-N-(3,5-dimethylphenyl)-2-thiophenecarboxamide IUPAC Name: 3-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-(3,5-dimethylphenyl)thiophene-2-carboxamide Traditional Name: 3-[(2-acetamido-4-pyridyl)methylthio]-N-(3,5-dimethylphenyl)thiophene-2-carboxamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=C(C=CS2)SCC3=CC(=NC=C3)NC(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(C=CS2)SCC3=CC(=NC=C3)NC(=O)C)C

InChI

InChI=1S/C21H21N3O2S2/c1-13-8-14(2)10-17(9-13)24-21(26)20-18(5-7-27-20)28-12-16-4-6-22-19(11-16)23-15(3)25/h4-11H,12H2,1-3H3,(H,24,26)(H,22,23,25)