1-butyl-5-[[(4-piperidin-1-ylphenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-butyl-5-[[(4-piperidin-1-ylphenyl)amino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-butyl-5-[[4-(1-piperidyl)anilino]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-butyl-5-[[4-(1-piperidinyl)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-butyl-5-[(4-piperidin-1-ylanilino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-butyl-5-[(4-piperidinoanilino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CNC2=CC=C(C=C2)N3CCCCC3)C(=O)NC1=S

Isomeric SMILES

CCCCN1C(=O)C(=CNC2=CC=C(C=C2)N3CCCCC3)C(=O)NC1=S

InChI

InChI=1S/C20H26N4O2S/c1-2-3-13-24-19(26)17(18(25)22-20(24)27)14-21-15-7-9-16(10-8-15)23-11-5-4-6-12-23/h7-10,14,21H,2-6,11-13H2,1H3,(H,22,25,27)