2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-thiophen-2-ylethylcarbamoyl)ethanamide

Systemtic Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-thiophen-2-ylethylcarbamoyl)ethanamide Openeye Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-thienyl)ethylcarbamoyl]acetamide CAS Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-[oxo-(2-thiophen-2-ylethylamino)methyl]acetamide IUPAC Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide Traditional Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-[2-(2-thienyl)ethylcarbamoyl]acetamide Formula: C22H24N6O3S2 MolecularWeight: 484.59436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)NC(=O)NCCC3=CC=CS3)C4CC4

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)NC(=O)NCCC3=CC=CS3)C4CC4

InChI

InChI=1S/C22H24N6O3S2/c1-14(29)24-16-4-2-5-17(12-16)28-20(15-7-8-15)26-27-22(28)33-13-19(30)25-21(31)23-10-9-18-6-3-11-32-18/h2-6,11-12,15H,7-10,13H2,1H3,(H,24,29)(H2,23,25,30,31)