F90
Summary
Name: | 4-chlorobenzyl carbamimidothioate |
Formula: | C8 H9 Cl N2 S |
Formal charge: | 0 |
Formula weight: | 200.688 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 4-chlorobenzyl carbamimidothioate |
OpenEye OEToolkits | 1.7.0 | (4-chlorophenyl)methyl carbamimidothioate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1ccc(cc1)CSC(=[N@H])N |
SMILES_CANONICAL | CACTVS | 3.370 | NC(=N)SCc1ccc(Cl)cc1 |
SMILES | CACTVS | 3.370 | NC(=N)SCc1ccc(Cl)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(\N)/SCc1ccc(cc1)Cl |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1CSC(=N)N)Cl |
InChI | InChI | 1.03 | InChI=1S/C8H9ClN2S/c9-7-3-1-6(2-4-7)5-12-8(10)11/h1-4H,5H2,(H3,10,11) |
InChIKey | InChI | 1.03 | YOCWIHYZDHPSHD-UHFFFAOYSA-N |