5-[[5-(azepan-1-yl)furan-2-yl]methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[5-(azepan-1-yl)furan-2-yl]methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[5-(azepan-1-yl)-2-furyl]methylene]-1-(4-ethylphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[5-(1-azepanyl)-2-furanyl]methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[5-(azepan-1-yl)furan-2-yl]methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[5-(azepan-1-yl)-2-furyl]methylene]-1-(4-ethylphenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)N4CCCCCC4)C(=O)NC2=S

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)N4CCCCCC4)C(=O)NC2=S

InChI

InChI=1S/C23H25N3O3S/c1-2-16-7-9-17(10-8-16)26-22(28)19(21(27)24-23(26)30)15-18-11-12-20(29-18)25-13-5-3-4-6-14-25/h7-12,15H,2-6,13-14H2,1H3,(H,24,27,30)