5-(1H-benzimidazol-2-ylmethylidene)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-(1H-benzimidazol-2-ylmethylidene)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-(1H-benzimidazol-2-ylmethylene)-1-butyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-(1H-benzimidazol-2-ylmethylidene)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-(1H-benzimidazol-2-ylmethylidene)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(1H-benzimidazol-2-ylmethylene)-1-butyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=NC3=CC=CC=C3N2)C(=O)NC1=S

Isomeric SMILES

CCCCN1C(=O)C(=CC2=NC3=CC=CC=C3N2)C(=O)NC1=S

InChI

InChI=1S/C16H16N4O2S/c1-2-3-8-20-15(22)10(14(21)19-16(20)23)9-13-17-11-6-4-5-7-12(11)18-13/h4-7,9H,2-3,8H2,1H3,(H,17,18)(H,19,21,23)