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

Systemtic Name: 5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[4-(azepan-1-yl)phenyl]methylene]-1-(4-isopropylphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[4-(1-azepanyl)phenyl]methylidene]-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[4-(azepan-1-yl)phenyl]methylidene]-1-(4-propan-2-ylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[4-(azepan-1-yl)benzylidene]-1-p-cumenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O2S/c1-18(2)20-9-13-22(14-10-20)29-25(31)23(24(30)27-26(29)32)17-19-7-11-21(12-8-19)28-15-5-3-4-6-16-28/h7-14,17-18H,3-6,15-16H2,1-2H3,(H,27,30,32)