1-butylsulfanyl-5-(diphenylmethylidene)-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-butylsulfanyl-5-(diphenylmethylidene)-1,3-diazinane-2,4,6-trione Openeye Name: 5-benzhydrylidene-1-butylsulfanyl-hexahydropyrimidine-2,4,6-trione CAS Name: 1-(butylthio)-5-(diphenylmethylene)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-benzhydrylidene-1-butylsulfanyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-benzhydrylidene-1-(butylthio)barbituric acid Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSN1C(=O)C(=C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC1=O

Isomeric SMILES

CCCCSN1C(=O)C(=C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC1=O

InChI

InChI=1S/C21H20N2O3S/c1-2-3-14-27-23-20(25)18(19(24)22-21(23)26)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3,(H,22,24,26)