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

Systemtic Name: 5-[[(3-aminophenyl)amino]methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-aminoanilino)methylene]-1-butyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3-aminoanilino)methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-aminoanilino)methylidene]-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(3-aminoanilino)methylene]-1-butyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C15H18N4O2S MolecularWeight: 318.39402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O2S/c1-2-3-7-19-14(21)12(13(20)18-15(19)22)9-17-11-6-4-5-10(16)8-11/h4-6,8-9,17H,2-3,7,16H2,1H3,(H,18,20,22)