N-[2-octoxy-4-(pyridin-2-ylcarbamothioylamino)phenyl]ethanamide

Systemtic Name: N-[2-octoxy-4-(pyridin-2-ylcarbamothioylamino)phenyl]ethanamide Openeye Name: N-[2-octoxy-4-(2-pyridylcarbamothioylamino)phenyl]acetamide CAS Name: N-[2-octoxy-4-[[(2-pyridinylamino)-sulfanylidenemethyl]amino]phenyl]acetamide IUPAC Name: N-[2-octoxy-4-(pyridin-2-ylcarbamothioylamino)phenyl]acetamide Traditional Name: N-[2-octoxy-4-(2-pyridylthiocarbamoylamino)phenyl]acetamide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=CC(=C1)NC(=S)NC2=CC=CC=N2)NC(=O)C

Isomeric SMILES

CCCCCCCCOC1=C(C=CC(=C1)NC(=S)NC2=CC=CC=N2)NC(=O)C

InChI

InChI=1S/C22H30N4O2S/c1-3-4-5-6-7-10-15-28-20-16-18(12-13-19(20)24-17(2)27)25-22(29)26-21-11-8-9-14-23-21/h8-9,11-14,16H,3-7,10,15H2,1-2H3,(H,24,27)(H2,23,25,26,29)