N-[(2-naphthalen-1-ylethanoylamino)carbamothioyl]-3-phenyl-propanamide

Systemtic Name: N-[(2-naphthalen-1-ylethanoylamino)carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[[[2-(1-naphthyl)acetyl]amino]carbamothioyl]-3-phenyl-propanamide CAS Name: N-[[[2-(1-naphthalenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]-3-phenylpropanamide Traditional Name: N-[[[2-(1-naphthyl)acetyl]amino]thiocarbamoyl]-3-phenyl-propionamide Formula: C22H21N3O2S MolecularWeight: 391.48604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(=S)NNC(=O)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC(=S)NNC(=O)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H21N3O2S/c26-20(14-13-16-7-2-1-3-8-16)23-22(28)25-24-21(27)15-18-11-6-10-17-9-4-5-12-19(17)18/h1-12H,13-15H2,(H,24,27)(H2,23,25,26,28)