(5R)-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5R)-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5R)-1-(4-isopropylphenyl)-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5R)-5-[2-(1-piperazine-1,4-diiumyl)ethyliminomethyl]-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5R)-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5R)-1-p-cumenyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H29N5O2S+2 MolecularWeight: 403.54156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=O)C(C(=O)NC2=S)C=NCC[NH+]3CC[NH2+]CC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=O)[C@@H](C(=O)NC2=S)C=NCC[NH+]3CC[NH2+]CC3

InChI

InChI=1S/C20H27N5O2S/c1-14(2)15-3-5-16(6-4-15)25-19(27)17(18(26)23-20(25)28)13-22-9-12-24-10-7-21-8-11-24/h3-6,13-14,17,21H,7-12H2,1-2H3,(H,23,26,28)/p+2/t17-/m1/s1