N-[4-[(1,3-benzodioxol-5-ylmethylcarbamothioylamino)carbamoyl]phenyl]-2-cyano-ethanamide

Systemtic Name: N-[4-[(1,3-benzodioxol-5-ylmethylcarbamothioylamino)carbamoyl]phenyl]-2-cyano-ethanamide Openeye Name: N-[4-[(1,3-benzodioxol-5-ylmethylcarbamothioylamino)carbamoyl]phenyl]-2-cyano-acetamide CAS Name: N-[4-[[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-2-cyanoacetamide IUPAC Name: N-[4-[(1,3-benzodioxol-5-ylmethylcarbamothioylamino)carbamoyl]phenyl]-2-cyanoacetamide Traditional Name: 2-cyano-N-[4-[(piperonylthiocarbamoylamino)carbamoyl]phenyl]acetamide Formula: C19H17N5O4S MolecularWeight: 411.43438

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C19H17N5O4S/c20-8-7-17(25)22-14-4-2-13(3-5-14)18(26)23-24-19(29)21-10-12-1-6-15-16(9-12)28-11-27-15/h1-6,9H,7,10-11H2,(H,22,25)(H,23,26)(H2,21,24,29)