2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(ethylcarbamoyl)ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(ethylcarbamoyl)ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-(ethylcarbamoyl)acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-(ethylcarbamoyl)acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(ethylcarbamoyl)acetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(ethylcarbamoyl)acetamide Formula: C16H24N4O4S2 MolecularWeight: 400.51616

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CCNC(=O)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C16H24N4O4S2/c1-2-17-16(22)19-14(21)12-25-15-8-7-13(11-18-15)26(23,24)20-9-5-3-4-6-10-20/h7-8,11H,2-6,9-10,12H2,1H3,(H2,17,19,21,22)