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

Systemtic Name: 5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[4-(azepan-1-yl)phenyl]methylene]-1-butyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[4-(1-azepanyl)phenyl]methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[4-(azepan-1-yl)phenyl]methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[4-(azepan-1-yl)benzylidene]-1-butyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=CC=C(C=C2)N3CCCCCC3)C(=O)NC1=S

Isomeric SMILES

CCCCN1C(=O)C(=CC2=CC=C(C=C2)N3CCCCCC3)C(=O)NC1=S

InChI

InChI=1S/C21H27N3O2S/c1-2-3-14-24-20(26)18(19(25)22-21(24)27)15-16-8-10-17(11-9-16)23-12-6-4-5-7-13-23/h8-11,15H,2-7,12-14H2,1H3,(H,22,25,27)