(5S)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5S)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5S)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-butyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5S)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5S)-5-(1,3-benzodioxol-5-ylmethyliminomethyl)-1-butyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5S)-1-butyl-5-(piperonyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(C(=O)NC1=S)C=NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCN1C(=O)[C@H](C(=O)NC1=S)C=NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H19N3O4S/c1-2-3-6-20-16(22)12(15(21)19-17(20)25)9-18-8-11-4-5-13-14(7-11)24-10-23-13/h4-5,7,9,12H,2-3,6,8,10H2,1H3,(H,19,21,25)/t12-/m0/s1