(phenylmethyl) 3-[(4S)-1-butyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]propanoate

Systemtic Name: (phenylmethyl) 3-[(4S)-1-butyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]propanoate Openeye Name: benzyl 3-[(4S)-1-butyl-5-oxo-2-thioxo-imidazolidin-4-yl]propanoate CAS Name: 3-[(4S)-1-butyl-5-oxo-2-sulfanylidene-4-imidazolidinyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[(4S)-1-butyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanoate Traditional Name: 3-[(4S)-1-butyl-5-keto-2-thioxo-imidazolidin-4-yl]propionic acid benzyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(NC1=S)CCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCN1C(=O)[C@@H](NC1=S)CCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H22N2O3S/c1-2-3-11-19-16(21)14(18-17(19)23)9-10-15(20)22-12-13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3,(H,18,23)/t14-/m0/s1