TDU
Summary
| Name: | 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea |
| Synonyms: | 1-(benzo[d][1,2,3]thiadiazol-6-yl)-3-(2-cyclohexenylethyl)urea |
| Formula: | C15 H18 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 302.395 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohex-1-en-1-yl)ethyl]urea |
| OpenEye OEToolkits | 1.7.2 | 1-(1,2,3-benzothiadiazol-6-yl)-3-[2-(cyclohexen-1-yl)ethyl]urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCCC1=CCCCC1)Nc2ccc3nnsc3c2 |
| InChI | InChI | 1.03 | InChI=1S/C15H18N4OS/c20-15(16-9-8-11-4-2-1-3-5-11)17-12-6-7-13-14(10-12)21-19-18-13/h4,6-7,10H,1-3,5,8-9H2,(H2,16,17,20) |
| InChIKey | InChI | 1.03 | GGXCUZHEJUJACD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C(NCCC1=CCCCC1)Nc2ccc3nnsc3c2 |
| SMILES | CACTVS | 3.370 | O=C(NCCC1=CCCCC1)Nc2ccc3nnsc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc2c(cc1NC(=O)NCCC3=CCCCC3)snn2 |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc2c(cc1NC(=O)NCCC3=CCCCC3)snn2 |
