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4-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

View entire compound with spectra: 2 NMR

4-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SpectraBase Compound ID CtZsijcKYf6
InChI InChI=1S/C26H19N5O3S3/c32-24(21-16-23(17-6-2-1-3-7-17)29-22-9-5-4-8-20(21)22)30-25(35)28-18-10-12-19(13-11-18)37(33,34)31-26-27-14-15-36-26/h1-16H,(H,27,31)(H2,28,30,32,35)
InChIKey MMJWQOPISCGLQR-UHFFFAOYSA-N
Mol Weight 545.65 g/mol
Molecular Formula C26H19N5O3S3
Exact Mass 545.065003 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GzyHDXwdkto
Name 4-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 545.065003011 u
Formula C26H19N5O3S3
InChI InChI=1S/C26H19N5O3S3/c32-24(21-16-23(17-6-2-1-3-7-17)29-22-9-5-4-8-20(21)22)30-25(35)28-18-10-12-19(13-11-18)37(33,34)31-26-27-14-15-36-26/h1-16H,(H,27,31)(H2,28,30,32,35)
InChIKey MMJWQOPISCGLQR-UHFFFAOYSA-N
Molecular Weight 545.650 g/mol
SMILES N(C(C=1C=C(C=2C=CC=CC2)N=C2C1C=CC=C2)=O)C(NC=1C=CC(S(NC2=NC=CS2)(=O)=O)=CC1)=S