2-[2-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-[2-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[2-[4-(benzofuran-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[[2-[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[[2-[4-(benzofuran-2-carbonyl)piperazino]-2-keto-ethyl]thio]-N-(5-methylisoxazol-3-yl)acetamide Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSCC(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSCC(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H22N4O5S/c1-14-10-18(23-30-14)22-19(26)12-31-13-20(27)24-6-8-25(9-7-24)21(28)17-11-15-4-2-3-5-16(15)29-17/h2-5,10-11H,6-9,12-13H2,1H3,(H,22,23,26)