(5S)-1-(4-ethoxyphenyl)-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5S)-1-(4-ethoxyphenyl)-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5S)-1-(4-ethoxyphenyl)-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5S)-1-(4-ethoxyphenyl)-5-[2-(1-piperazine-1,4-diiumyl)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5S)-1-(4-ethoxyphenyl)-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5S)-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-1-p-phenetyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H27N5O3S+2 MolecularWeight: 405.51438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(C(=O)NC2=S)C=NCC[NH+]3CC[NH2+]CC3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)[C@H](C(=O)NC2=S)C=NCC[NH+]3CC[NH2+]CC3

InChI

InChI=1S/C19H25N5O3S/c1-2-27-15-5-3-14(4-6-15)24-18(26)16(17(25)22-19(24)28)13-21-9-12-23-10-7-20-8-11-23/h3-6,13,16,20H,2,7-12H2,1H3,(H,22,25,28)/p+2/t16-/m0/s1