2-cyano-N-[4-[(propan-2-ylcarbamothioylamino)carbamoyl]phenyl]ethanamide

Systemtic Name: 2-cyano-N-[4-[(propan-2-ylcarbamothioylamino)carbamoyl]phenyl]ethanamide Openeye Name: 2-cyano-N-[4-[(isopropylcarbamothioylamino)carbamoyl]phenyl]acetamide CAS Name: 2-cyano-N-[4-[oxo-[[(propan-2-ylamino)-sulfanylidenemethyl]hydrazo]methyl]phenyl]acetamide IUPAC Name: 2-cyano-N-[4-[(propan-2-ylcarbamothioylamino)carbamoyl]phenyl]acetamide Traditional Name: 2-cyano-N-[4-[(isopropylthiocarbamoylamino)carbamoyl]phenyl]acetamide Formula: C14H17N5O2S MolecularWeight: 319.38208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)CC#N

Isomeric SMILES

CC(C)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)CC#N

InChI

InChI=1S/C14H17N5O2S/c1-9(2)16-14(22)19-18-13(21)10-3-5-11(6-4-10)17-12(20)7-8-15/h3-6,9H,7H2,1-2H3,(H,17,20)(H,18,21)(H2,16,19,22)