4-[2-(1-Adamantyloxy)ethylthiocarbamoylamino]benzoic acid ethyl ester

SpectraBase Compound ID	7fPgGats8jT
InChI	InChI=1S/C22H30N2O3S/c1-2-26-20(25)18-3-5-19(6-4-18)24-21(28)23-7-8-27-22-12-15-9-16(13-22)11-17(10-15)14-22/h3-6,15-17H,2,7-14H2,1H3,(H2,23,24,28)/t15-,16+,17-,22-
InChIKey	QHWZOXOVJLOLHS-UHFFFAOYSA-N Google Search
Mol Weight	402.55 g/mol
Molecular Formula	C22H30N2O3S
Exact Mass	402.197714 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	BQA1l4mxznD
Name	4-[2-(1-adamantyloxy)ethylthiocarbamoylamino]benzoic acid ethyl ester
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H30N2O3S
InChI	InChI=1S/C22H30N2O3S/c1-2-26-20(25)18-3-5-19(6-4-18)24-21(28)23-7-8-27-22-12-15-9-16(13-22)11-17(10-15)14-22/h3-6,15-17H,2,7-14H2,1H3,(H2,23,24,28)/t15-,16+,17-,22-
InChIKey	QHWZOXOVJLOLHS-UHFFFAOYSA-N
Molecular Weight	402.553 g/mol
SMILES	N(C(Nc1ccc(C(=O)OCC)cc1)=S)CCOC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]
SPLASH	splash10-000i-7920000000-2772f709dbf21b5fae29
Synonyms	4-[[[2-(1-adamantyloxy)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester Ethyl 4-[2-(1-adamantyloxy)ethylcarbamothioylamino]benzoate
Wiley ID	1464516