5-butyl-5-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-butyl-5-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-butyl-5-[4-(4-fluorophenyl)-4-oxo-butyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-butyl-5-[4-(4-fluorophenyl)-4-oxobutyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-butyl-5-[4-(4-fluorophenyl)-4-oxobutyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-butyl-5-[4-(4-fluorophenyl)-4-keto-butyl]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H21FN2O3S MolecularWeight: 364.434343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(=O)NC(=S)NC1=O)CCCC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCCCC1(C(=O)NC(=S)NC1=O)CCCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H21FN2O3S/c1-2-3-10-18(15(23)20-17(25)21-16(18)24)11-4-5-14(22)12-6-8-13(19)9-7-12/h6-9H,2-5,10-11H2,1H3,(H2,20,21,23,24,25)