(4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(morpholin-4-ylmethyl)-5-oxidanylidene-imidazole-2-thiolate

Systemtic Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(morpholin-4-ylmethyl)-5-oxidanylidene-imidazole-2-thiolate Openeye Name: (4E)-4-(1,3-benzodioxol-5-ylmethylene)-1-(morpholinomethyl)-5-oxo-imidazole-2-thiolate CAS Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(4-morpholinylmethyl)-5-oxo-2-imidazolethiolate IUPAC Name: (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-1-(morpholin-4-ylmethyl)-5-oxoimidazole-2-thiolate Traditional Name: (4E)-5-keto-1-(morpholinomethyl)-4-piperonylidene-2-imidazoline-2-thiolate Formula: C16H16N3O4S- MolecularWeight: 346.38094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)N=C2[S-]

Isomeric SMILES

C1COCCN1CN2C(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/N=C2[S-]

InChI

InChI=1S/C16H17N3O4S/c20-15-12(7-11-1-2-13-14(8-11)23-10-22-13)17-16(24)19(15)9-18-3-5-21-6-4-18/h1-2,7-8H,3-6,9-10H2,(H,17,24)/p-1/b12-7+