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

Systemtic Name: 5-[[4-(azepan-1-yl)phenyl]methylidene]-1-hexyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[4-(azepan-1-yl)phenyl]methylene]-1-hexyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[4-(1-azepanyl)phenyl]methylidene]-1-hexyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[4-(azepan-1-yl)phenyl]methylidene]-1-hexyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[4-(azepan-1-yl)benzylidene]-1-hexyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CC2=CC=C(C=C2)N3CCCCCC3)C(=O)NC1=S

Isomeric SMILES

CCCCCCN1C(=O)C(=CC2=CC=C(C=C2)N3CCCCCC3)C(=O)NC1=S

InChI

InChI=1S/C23H31N3O2S/c1-2-3-4-9-16-26-22(28)20(21(27)24-23(26)29)17-18-10-12-19(13-11-18)25-14-7-5-6-8-15-25/h10-13,17H,2-9,14-16H2,1H3,(H,24,27,29)