N-cyclooctyl-2-[2-[(pyridin-4-ylcarbonylamino)carbamoyl]phenyl]sulfanyl-ethanamide

Systemtic Name: N-cyclooctyl-2-[2-[(pyridin-4-ylcarbonylamino)carbamoyl]phenyl]sulfanyl-ethanamide Openeye Name: N-cyclooctyl-2-[2-[(pyridine-4-carbonylamino)carbamoyl]phenyl]sulfanyl-acetamide CAS Name: N-cyclooctyl-2-[[2-[oxo-[[oxo(pyridin-4-yl)methyl]hydrazo]methyl]phenyl]thio]acetamide IUPAC Name: N-cyclooctyl-2-[2-[(pyridine-4-carbonylamino)carbamoyl]phenyl]sulfanylacetamide Traditional Name: N-cyclooctyl-2-[[2-(isonicotinamidocarbamoyl)phenyl]thio]acetamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CSC2=CC=CC=C2C(=O)NNC(=O)C3=CC=NC=C3

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CSC2=CC=CC=C2C(=O)NNC(=O)C3=CC=NC=C3

InChI

InChI=1S/C23H28N4O3S/c28-21(25-18-8-4-2-1-3-5-9-18)16-31-20-11-7-6-10-19(20)23(30)27-26-22(29)17-12-14-24-15-13-17/h6-7,10-15,18H,1-5,8-9,16H2,(H,25,28)(H,26,29)(H,27,30)