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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C(=CC2=CC=C(C=C2)N3CCCCCC3)C(=O)NC1=S

Isomeric SMILES

CCC(C)N1C(=O)/C(=C/C2=CC=C(C=C2)N3CCCCCC3)/C(=O)NC1=S

InChI

InChI=1S/C21H27N3O2S/c1-3-15(2)24-20(26)18(19(25)22-21(24)27)14-16-8-10-17(11-9-16)23-12-6-4-5-7-13-23/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,22,25,27)/b18-14+