ULC
Summary
| Name: | ~{O}-(5,6,7,8-tetrahydronaphthalen-2-yl) ~{N}-(6-methoxypyridin-2-yl)-~{N}-methyl-carbamothioate |
| Formula: | C18 H20 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 328.429 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{O}-(5,6,7,8-tetrahydronaphthalen-2-yl) ~{N}-(6-methoxypyridin-2-yl)-~{N}-methyl-carbamothioate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H20N2O2S/c1-20(16-8-5-9-17(19-16)21-2)18(23)22-15-11-10-13-6-3-4-7-14(13)12-15/h5,8-12H,3-4,6-7H2,1-2H3 |
| InChIKey | InChI | 1.06 | VPHPQNGOVQYUMG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(n1)N(C)C(=S)Oc2ccc3CCCCc3c2 |
| SMILES | CACTVS | 3.385 | COc1cccc(n1)N(C)C(=S)Oc2ccc3CCCCc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(c1cccc(n1)OC)C(=S)Oc2ccc3c(c2)CCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(c1cccc(n1)OC)C(=S)Oc2ccc3c(c2)CCCC3 |
