For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-Bromanyl-N-[(2-methyl-4-nitro-5-pyrrolidin-1-yl-phenyl)carbamothioyl]benzamide
SpectraBase Compound ID HPYIsiCEm7k
InChI InChI=1S/C19H19BrN4O3S/c1-12-10-17(24(26)27)16(23-8-4-5-9-23)11-15(12)21-19(28)22-18(25)13-6-2-3-7-14(13)20/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H2,21,22,25,28)
InChIKey NEDALNSRDOZBFG-UHFFFAOYSA-N
Mol Weight 463.35 g/mol
Molecular Formula C19H19BrN4O3S
Exact Mass 462.036125 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID GCvImf7zYSh
Name 2-Bromanyl-N-[(2-methyl-4-nitro-5-pyrrolidin-1-yl-phenyl)carbamothioyl]benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19BrN4O3S
InChI InChI=1S/C19H19BrN4O3S/c1-12-10-17(24(26)27)16(23-8-4-5-9-23)11-15(12)21-19(28)22-18(25)13-6-2-3-7-14(13)20/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H2,21,22,25,28)
InChIKey NEDALNSRDOZBFG-UHFFFAOYSA-N
Molecular Weight 463.350 g/mol
SMILES N(C(NC(c1c(Br)cccc1)=O)=S)c1c(cc(N(=O)=O)c(c1)N1CCCC1)C
SPLASH splash10-055k-5940000000-81688925e31c79dbf877
Synonyms 2-Bromo-N-[(2-methyl-4-nitro-5-pyrrolidin-1-yl-phenyl)carbamothioyl]benzamide 2-Bromo-N-[(2-methyl-4-nitro-5-pyrrolidino-phenyl)thiocarbamoyl]benzamide 2-Bromo-N-[[2-methyl-4-nitro-5-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide
Wiley ID 1463996