| SpectraBase Spectrum ID |
G6IehYAIkOI |
| Name |
N-Benzyl-N1((4-propyl-2H-benzopyran-2-one-7-yloxy)acetyl)-thiosemicarbazide |
| Alternate Name(s) |
1-[[1-oxo-2-[(2-oxo-4-propyl-1-benzopyran-7-yl)oxy]ethyl]amino]-3-(phenylmethyl)thiourea
1-benzyl-3-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]thiourea
1-benzyl-3-[[2-(2-oxo-4-propyl-chromen-7-yl)oxyacetyl]amino]thiourea
1-[2-(2-oxidanylidene-4-propyl-chromen-7-yl)oxyethanoylamino]-3-(phenylmethyl)thiourea |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H23N3O4S |
| InChI |
InChI=1S/C22H23N3O4S/c1-2-6-16-11-21(27)29-19-12-17(9-10-18(16)19)28-14-20(26)24-25-22(30)23-13-15-7-4-3-5-8-15/h3-5,7-12H,2,6,13-14H2,1H3,(H,24,26)(H2,23,25,30) |
| InChIKey |
HTGIWZJOCFBODO-UHFFFAOYSA-N |
| Molecular Weight |
425.503 g/mol |
| SMILES |
N(NC(=S)NCc1ccccc1)C(COc1cc2OC(=O)C=C(c2cc1)CCC)=O |
| SPLASH |
splash10-004i-0000900000-2e853a19c4250380c6e2 |
| Source of Spectrum |
F2-45-3956-5b |
| Wiley ID |
1689395 |
