SpectraBase Spectrum ID |
CeieLNUBOKl |
Name |
Methyl 2-{[(2-furoylamino)carbothioyl]amino}-4-(4-methylphenyl)-3-thiophenecarboxylate |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
400.055149347 u |
Formula |
C19H16N2O4S2 |
InChI |
InChI=1S/C19H16N2O4S2/c1-11-5-7-12(8-6-11)13-10-27-17(15(13)18(23)24-2)21-19(26)20-16(22)14-4-3-9-25-14/h3-10H,1-2H3,(H2,20,21,22,26) |
InChIKey |
SWFCFZRNXIIINK-UHFFFAOYSA-N |
Molecular Weight |
400.467 g/mol |
SMILES |
N(C1=C(C(C=2C=CC(=CC2)C)=CS1)C(=O)OC)C(NC(C=1OC=CC1)=O)=S |