O-(4-phenylbut-3-ynyl) N-(2-ethylphenyl)carbamothioate

Systemtic Name: O-(4-phenylbut-3-ynyl) N-(2-ethylphenyl)carbamothioate Openeye Name: O-(4-phenylbut-3-ynyl) N-(2-ethylphenyl)carbamothioate CAS Name: N-(2-ethylphenyl)carbamothioic acid O-(4-phenylbut-3-ynyl) ester IUPAC Name: O-(4-phenylbut-3-ynyl) N-(2-ethylphenyl)carbamothioate Traditional Name: N-(2-ethylphenyl)thiocarbamic acid O-(4-phenylbut-3-ynyl) ester Formula: C19H19NOS MolecularWeight: 309.42526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)OCCC#CC2=CC=CC=C2

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)OCCC#CC2=CC=CC=C2

InChI

InChI=1S/C19H19NOS/c1-2-17-13-6-7-14-18(17)20-19(22)21-15-9-8-12-16-10-4-3-5-11-16/h3-7,10-11,13-14H,2,9,15H2,1H3,(H,20,22)