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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=C2C(=O)N(C(=S)N(C2=O)C)C

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C=C2C(=O)N(C(=S)N(C2=O)C)C

InChI

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