(5Z)-1-octyl-5-[1-(3-pyrrolidin-1-ylpropylamino)ethylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5Z)-1-octyl-5-[1-(3-pyrrolidin-1-ylpropylamino)ethylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5Z)-1-octyl-5-[1-(3-pyrrolidin-1-ylpropylamino)ethylidene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5Z)-1-octyl-5-[1-[3-(1-pyrrolidinyl)propylamino]ethylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5Z)-1-octyl-5-[1-(3-pyrrolidin-1-ylpropylamino)ethylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5Z)-1-octyl-5-[1-(3-pyrrolidinopropylamino)ethylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H36N4O2S MolecularWeight: 408.60114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C(=C(C)NCCCN2CCCC2)C(=O)NC1=S

Isomeric SMILES

CCCCCCCCN1C(=O)/C(=C(/C)\NCCCN2CCCC2)/C(=O)NC1=S

InChI

InChI=1S/C21H36N4O2S/c1-3-4-5-6-7-8-16-25-20(27)18(19(26)23-21(25)28)17(2)22-12-11-15-24-13-9-10-14-24/h22H,3-16H2,1-2H3,(H,23,26,28)/b18-17-