O-butan-2-yl N-ethyl-N-(3-phenylpropyl)carbamothioate

Systemtic Name: O-butan-2-yl N-ethyl-N-(3-phenylpropyl)carbamothioate Openeye Name: O-sec-butyl N-ethyl-N-(3-phenylpropyl)carbamothioate CAS Name: N-ethyl-N-(3-phenylpropyl)carbamothioic acid O-butan-2-yl ester IUPAC Name: O-butan-2-yl N-ethyl-N-(3-phenylpropyl)carbamothioate Traditional Name: N-ethyl-N-(3-phenylpropyl)thiocarbamic acid O-sec-butyl ester Formula: C16H25NOS MolecularWeight: 279.4408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=S)N(CC)CCCC1=CC=CC=C1

Isomeric SMILES

CCC(C)OC(=S)N(CC)CCCC1=CC=CC=C1

InChI

InChI=1S/C16H25NOS/c1-4-14(3)18-16(19)17(5-2)13-9-12-15-10-7-6-8-11-15/h6-8,10-11,14H,4-5,9,12-13H2,1-3H3