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

*Links on SpectraBase are not permalinks.

4-[({[4-({[amino(imino)methyl]amino}sulfonyl)anilino]carbothioyl}amino)carbonyl]-2-(4-chlorophenyl)quinoline

View entire compound with spectra: 2 NMR

4-[({[4-({[amino(imino)methyl]amino}sulfonyl)anilino]carbothioyl}amino)carbonyl]-2-(4-chlorophenyl)quinoline
SpectraBase Compound ID BlYpcViljgD
InChI InChI=1S/C24H19ClN6O3S2/c25-15-7-5-14(6-8-15)21-13-19(18-3-1-2-4-20(18)29-21)22(32)30-24(35)28-16-9-11-17(12-10-16)36(33,34)31-23(26)27/h1-13H,(H4,26,27,31)(H2,28,30,32,35)
InChIKey IRDDXZIJZSVJLI-UHFFFAOYSA-N
Mol Weight 539.03 g/mol
Molecular Formula C24H19ClN6O3S2
Exact Mass 538.064859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID IoAdALSqkc7
Name 4-[({[4-({[amino(imino)methyl]amino}sulfonyl)anilino]carbothioyl}amino)carbonyl]-2-(4-chlorophenyl)quinoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 538.064858541 u
Formula C24H19ClN6O3S2
InChI InChI=1S/C24H19ClN6O3S2/c25-15-7-5-14(6-8-15)21-13-19(18-3-1-2-4-20(18)29-21)22(32)30-24(35)28-16-9-11-17(12-10-16)36(33,34)31-23(26)27/h1-13H,(H4,26,27,31)(H2,28,30,32,35)
InChIKey IRDDXZIJZSVJLI-UHFFFAOYSA-N
Molecular Weight 539.028 g/mol
SMILES N(S(C=1C=CC(NC(NC(C=2C=C(C3=CC=C(C=C3)Cl)N=C3C2C=CC=C3)=O)=S)=CC1)(=O)=O)C(=N)N