1-butyl-4-oxidanylidene-N-(2-sulfanylethyl)-[1,3]dioxolo[4,5-g]cinnoline-3-carboxamide

Systemtic Name: 1-butyl-4-oxidanylidene-N-(2-sulfanylethyl)-[1,3]dioxolo[4,5-g]cinnoline-3-carboxamide Openeye Name: 1-butyl-4-oxo-N-(2-sulfanylethyl)-[1,3]dioxolo[4,5-g]cinnoline-3-carboxamide CAS Name: 1-butyl-N-(2-mercaptoethyl)-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxamide IUPAC Name: 1-butyl-4-oxo-N-(2-sulfanylethyl)-[1,3]dioxolo[4,5-g]cinnoline-3-carboxamide Traditional Name: 1-butyl-4-keto-N-(2-mercaptoethyl)-[1,3]dioxolo[4,5-g]cinnoline-3-carboxamide Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC3=C(C=C2C(=O)C(=N1)C(=O)NCCS)OCO3

Isomeric SMILES

CCCCN1C2=CC3=C(C=C2C(=O)C(=N1)C(=O)NCCS)OCO3

InChI

InChI=1S/C16H19N3O4S/c1-2-3-5-19-11-8-13-12(22-9-23-13)7-10(11)15(20)14(18-19)16(21)17-4-6-24/h7-8,24H,2-6,9H2,1H3,(H,17,21)