1-[(3aS,5R,7aR)-1,3-bis(oxidanylidene)-2-phenyl-3a,4,5,7a-tetrahydroisoindol-5-yl]-3-phenyl-thiourea

SpectraBase Compound ID	90nNBGEh9Kv
InChI	InChI=1S/C21H19N3O2S/c25-19-17-12-11-15(23-21(27)22-14-7-3-1-4-8-14)13-18(17)20(26)24(19)16-9-5-2-6-10-16/h1-12,15,17-18H,13H2,(H2,22,23,27)/t15-,17+,18-/m0/s1
InChIKey	ZQLVFYJTHIKFPS-JQHSSLGASA-N Google Search
Mol Weight	377.46 g/mol
Molecular Formula	C21H19N3O2S
Exact Mass	377.119798 g/mol

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SpectraBase Spectrum ID	DzfzkgV9htL
Name	1-[(3aS,5R,7aR)-1,3-bis(oxidanylidene)-2-phenyl-3a,4,5,7a-tetrahydroisoindol-5-yl]-3-phenyl-thiourea
Alternate Name(s)	1-[(3aS,5R,7aR)-1,3-diketo-2-phenyl-3a,4,5,7a-tetrahydroisoindol-5-yl]-3-phenyl-thiourea 1-[(3aS,5R,7aR)-1,3-dioxo-2-phenyl-3a,4,5,7a-tetrahydroisoindol-5-yl]-3-phenyl-thiourea
CAS Registry Number	112127-29-4
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H19N3O2S
InChI	InChI=1S/C21H19N3O2S/c25-19-17-12-11-15(23-21(27)22-14-7-3-1-4-8-14)13-18(17)20(26)24(19)16-9-5-2-6-10-16/h1-12,15,17-18H,13H2,(H2,22,23,27)/t15-,17+,18-/m0/s1
InChIKey	ZQLVFYJTHIKFPS-JQHSSLGASA-N
Molecular Weight	377.462 g/mol
SMILES	N(C(Nc1ccccc1)=S)[C@@]1(C[C@@]2(C(N(C([C@@]2(C=C1)[H])=O)c1ccccc1)=O)[H])[H]
SPLASH	splash10-004l-9221000000-73a33c736d79acd84209
Source of Spectrum	H-69-1912-17
Wiley ID	1358264