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

Systemtic Name: 5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[4-(azepan-1-yl)phenyl]methylene]-1-(4-ethoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[4-(1-azepanyl)phenyl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[4-(azepan-1-yl)benzylidene]-1-p-phenetyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)N4CCCCCC4)C(=O)NC2=S

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)N4CCCCCC4)C(=O)NC2=S

InChI

InChI=1S/C25H27N3O3S/c1-2-31-21-13-11-20(12-14-21)28-24(30)22(23(29)26-25(28)32)17-18-7-9-19(10-8-18)27-15-5-3-4-6-16-27/h7-14,17H,2-6,15-16H2,1H3,(H,26,29,32)