1,3-diethyl-5-[(4-hexoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1,3-diethyl-5-[(4-hexoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1,3-diethyl-5-[(4-hexoxyphenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1,3-diethyl-5-[(4-hexoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1,3-diethyl-5-[(4-hexoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1,3-diethyl-5-(4-hexoxybenzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C=C2C(=O)N(C(=S)N(C2=O)CC)CC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C=C2C(=O)N(C(=S)N(C2=O)CC)CC

InChI

InChI=1S/C21H28N2O3S/c1-4-7-8-9-14-26-17-12-10-16(11-13-17)15-18-19(24)22(5-2)21(27)23(6-3)20(18)25/h10-13,15H,4-9,14H2,1-3H3