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

Systemtic Name: 5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[4-(azepan-1-yl)phenyl]methylene]-1-(p-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[4-(1-azepanyl)phenyl]methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[4-(azepan-1-yl)benzylidene]-1-(p-tolyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)N4CCCCCC4)C(=O)NC2=S

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)N4CCCCCC4)C(=O)NC2=S

InChI

InChI=1S/C24H25N3O2S/c1-17-6-10-20(11-7-17)27-23(29)21(22(28)25-24(27)30)16-18-8-12-19(13-9-18)26-14-4-2-3-5-15-26/h6-13,16H,2-5,14-15H2,1H3,(H,25,28,30)