S-(phenylmethyl) N-(1-oxidanylidene-4-phenyl-butan-2-yl)carbamothioate

Systemtic Name: S-(phenylmethyl) N-(1-oxidanylidene-4-phenyl-butan-2-yl)carbamothioate Openeye Name: S-benzyl N-(1-formyl-3-phenyl-propyl)carbamothioate CAS Name: N-(1-oxo-4-phenylbutan-2-yl)carbamothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl N-(1-oxo-4-phenylbutan-2-yl)carbamothioate Traditional Name: N-(1-formyl-3-phenyl-propyl)thiocarbamic acid S-benzyl ester Formula: C18H19NO2S MolecularWeight: 313.41396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C=O)NC(=O)SCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCC(C=O)NC(=O)SCC2=CC=CC=C2

InChI

InChI=1S/C18H19NO2S/c20-13-17(12-11-15-7-3-1-4-8-15)19-18(21)22-14-16-9-5-2-6-10-16/h1-10,13,17H,11-12,14H2,(H,19,21)