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

Systemtic Name: 3-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-(2,2-dimethylpropyl)thiophene-2-carboxamide Openeye Name: 3-[(2-acetamido-4-pyridyl)methylsulfanyl]-N-(2,2-dimethylpropyl)thiophene-2-carboxamide CAS Name: 3-[(2-acetamido-4-pyridinyl)methylthio]-N-(2,2-dimethylpropyl)-2-thiophenecarboxamide IUPAC Name: 3-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-(2,2-dimethylpropyl)thiophene-2-carboxamide Traditional Name: 3-[(2-acetamido-4-pyridyl)methylthio]-N-neopentyl-thiophene-2-carboxamide Formula: C18H23N3O2S2 MolecularWeight: 377.52412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=CC(=C1)CSC2=C(SC=C2)C(=O)NCC(C)(C)C

Isomeric SMILES

CC(=O)NC1=NC=CC(=C1)CSC2=C(SC=C2)C(=O)NCC(C)(C)C

InChI

InChI=1S/C18H23N3O2S2/c1-12(22)21-15-9-13(5-7-19-15)10-25-14-6-8-24-16(14)17(23)20-11-18(2,3)4/h5-9H,10-11H2,1-4H3,(H,20,23)(H,19,21,22)