1,1-bis(oxidanylidene)-2-propyl-1,2-thiaziridin-3-one; 1-methylsulfanyl-3-[(4-phenylphenyl)methyl]-2-propyl-2H-imidazole-4-carboxylic acid

Systemtic Name: 1,1-bis(oxidanylidene)-2-propyl-1,2-thiaziridin-3-one; 1-methylsulfanyl-3-[(4-phenylphenyl)methyl]-2-propyl-2H-imidazole-4-carboxylic acid Openeye Name: 1,1-dioxo-2-propyl-thiaziridin-3-one; 1-methylsulfanyl-3-[(4-phenylphenyl)methyl]-2-propyl-2H-imidazole-4-carboxylic acid CAS Name: 1,1-dioxo-2-propyl-3-thiaziridinone; 1-(methylthio)-3-[(4-phenylphenyl)methyl]-2-propyl-2H-imidazole-4-carboxylic acid IUPAC Name: 1,1-dioxo-2-propylthiaziridin-3-one; 1-methylsulfanyl-3-[(4-phenylphenyl)methyl]-2-propyl-2H-imidazole-4-carboxylic acid Traditional Name: 1,1-diketo-2-propyl-thiaziridin-3-one; 1-(methylthio)-3-(4-phenylbenzyl)-2-propyl-4-imidazoline-4-carboxylic acid Formula: C25H31N3O5S2 MolecularWeight: 517.66074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1N(C=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O)SC.CCCN1C(=O)S1(=O)=O

Isomeric SMILES

CCCC1N(C=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O)SC.CCCN1C(=O)S1(=O)=O

InChI

InChI=1S/C21H24N2O2S.C4H7NO3S/c1-3-7-20-22(19(21(24)25)15-23(20)26-2)14-16-10-12-18(13-11-16)17-8-5-4-6-9-17;1-2-3-5-4(6)9(5,7)8/h4-6,8-13,15,20H,3,7,14H2,1-2H3,(H,24,25);2-3H2,1H3