(1S,9R)-N-(1,3-benzodioxol-5-yl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carbothioamide

SpectraBase Compound ID	Itj92T7cG8H
InChI	InChI=1S/C19H19N3O3S/c23-18-3-1-2-15-13-6-12(9-22(15)18)8-21(10-13)19(26)20-14-4-5-16-17(7-14)25-11-24-16/h1-5,7,12-13H,6,8-11H2,(H,20,26)
InChIKey	YWZRZBRWSJYIKP-UHFFFAOYSA-N Google Search
Mol Weight	369.44 g/mol
Molecular Formula	C19H19N3O3S
Exact Mass	369.114713 g/mol

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SpectraBase Spectrum ID	LgCQ1s6SbcL
Name	(1S,9R)-N-(1,3-benzodioxol-5-yl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carbothioamide
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C19H19N3O3S/c23-18-3-1-2-15-13-6-12(9-22(15)18)8-21(10-13)19(26)20-14-4-5-16-17(7-14)25-11-24-16/h1-5,7,12-13H,6,8-11H2,(H,20,26)
InChIKey	YWZRZBRWSJYIKP-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_24526
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: D47590; Labnumber: NCOBK-0527; SBI_ID: SBI-024530
Synonyms	N-(1,3-benzodioxol-5-yl)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carbothioamide
Temperature	318 °C