4-[2-octyl-4-[2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]piperazin-1-yl]benzenecarbothioamide

Systemtic Name: 4-[2-octyl-4-[2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]piperazin-1-yl]benzenecarbothioamide Openeye Name: 4-[2-octyl-4-(2,4,6-trioxohexahydropyrimidin-1-yl)piperazin-1-yl]benzenecarbothioamide CAS Name: 4-[2-octyl-4-(2,4,6-trioxo-1,3-diazinan-1-yl)-1-piperazinyl]benzenecarbothioamide IUPAC Name: 4-[2-octyl-4-(2,4,6-trioxo-1,3-diazinan-1-yl)piperazin-1-yl]benzenecarbothioamide Traditional Name: 4-[2-octyl-4-(2,4,6-triketohexahydropyrimidin-1-yl)piperazino]thiobenzamide Formula: C23H33N5O3S MolecularWeight: 459.60482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CN(CCN1C2=CC=C(C=C2)C(=S)N)N3C(=O)CC(=O)NC3=O

Isomeric SMILES

CCCCCCCCC1CN(CCN1C2=CC=C(C=C2)C(=S)N)N3C(=O)CC(=O)NC3=O

InChI

InChI=1S/C23H33N5O3S/c1-2-3-4-5-6-7-8-19-16-26(28-21(30)15-20(29)25-23(28)31)13-14-27(19)18-11-9-17(10-12-18)22(24)32/h9-12,19H,2-8,13-16H2,1H3,(H2,24,32)(H,25,29,31)