(5R)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5R)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5R)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-(o-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5R)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5R)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-(2-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5R)-1-(o-tolyl)-5-(piperonyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H17N3O4S MolecularWeight: 395.43168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(C(=O)NC2=S)C=NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)[C@@H](C(=O)NC2=S)C=NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H17N3O4S/c1-12-4-2-3-5-15(12)23-19(25)14(18(24)22-20(23)28)10-21-9-13-6-7-16-17(8-13)27-11-26-16/h2-8,10,14H,9,11H2,1H3,(H,22,24,28)/t14-/m1/s1