S-(phenylmethyl) N-[4-methylsulfanyl-1-oxidanylidene-1-(2-phenylhydrazinyl)butan-2-yl]carbamothioate

Systemtic Name: S-(phenylmethyl) N-[4-methylsulfanyl-1-oxidanylidene-1-(2-phenylhydrazinyl)butan-2-yl]carbamothioate Openeye Name: S-benzyl N-[1-(anilinocarbamoyl)-3-methylsulfanyl-propyl]carbamothioate CAS Name: N-[4-(methylthio)-1-oxo-1-(phenylhydrazo)butan-2-yl]carbamothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl N-[4-methylsulfanyl-1-oxo-1-(2-phenylhydrazinyl)butan-2-yl]carbamothioate Traditional Name: N-[1-(anilinocarbamoyl)-3-(methylthio)propyl]thiocarbamic acid S-benzyl ester Formula: C19H23N3O2S2 MolecularWeight: 389.53482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NNC1=CC=CC=C1)NC(=O)SCC2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)NNC1=CC=CC=C1)NC(=O)SCC2=CC=CC=C2

InChI

InChI=1S/C19H23N3O2S2/c1-25-13-12-17(18(23)22-21-16-10-6-3-7-11-16)20-19(24)26-14-15-8-4-2-5-9-15/h2-11,17,21H,12-14H2,1H3,(H,20,24)(H,22,23)