6-[5-oxidanylidene-4-prop-2-enyl-4-(pyridin-4-ylmethyl)-2-sulfanylidene-imidazolidin-1-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid

Systemtic Name: 6-[5-oxidanylidene-4-prop-2-enyl-4-(pyridin-4-ylmethyl)-2-sulfanylidene-imidazolidin-1-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid Openeye Name: 6-[4-allyl-5-oxo-4-(4-pyridylmethyl)-2-thioxo-imidazolidin-1-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid CAS Name: 6-[5-oxo-4-prop-2-enyl-4-(pyridin-4-ylmethyl)-2-sulfanylidene-1-imidazolidinyl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid IUPAC Name: 6-[5-oxo-4-prop-2-enyl-4-(pyridin-4-ylmethyl)-2-sulfanylideneimidazolidin-1-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid Traditional Name: 6-[4-allyl-5-keto-4-(4-pyridylmethyl)-2-thioxo-imidazolidin-1-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid Formula: C18H20N4O3S MolecularWeight: 372.4414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC1(C(=O)N(C(=S)N1)C2C3C2CN(C3)C(=O)O)CC4=CC=NC=C4

Isomeric SMILES

C=CCC1(C(=O)N(C(=S)N1)C2C3C2CN(C3)C(=O)O)CC4=CC=NC=C4

InChI

InChI=1S/C18H20N4O3S/c1-2-5-18(8-11-3-6-19-7-4-11)15(23)22(16(26)20-18)14-12-9-21(17(24)25)10-13(12)14/h2-4,6-7,12-14H,1,5,8-10H2,(H,20,26)(H,24,25)