88S
Summary
| Name: | N-(2-METHYL-1,3-BENZOTHIAZOL-6-YL)-3-UREIDO-PROPANAMIDE |
| Formula: | C12 H14 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 278.33 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~3~-carbamoyl-N-(2-methyl-1,3-benzothiazol-6-yl)-beta-alaninamide |
| OpenEye OEToolkits | 1.9.2 | 3-(aminocarbonylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N)NCCC(=O)Nc1ccc2nc(sc2c1)C |
| InChI | InChI | 1.03 | InChI=1S/C12H14N4O2S/c1-7-15-9-3-2-8(6-10(9)19-7)16-11(17)4-5-14-12(13)18/h2-3,6H,4-5H2,1H3,(H,16,17)(H3,13,14,18) |
| InChIKey | InChI | 1.03 | OVXHZNUBLPBIEB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1sc2cc(NC(=O)CCNC(N)=O)ccc2n1 |
| SMILES | CACTVS | 3.385 | Cc1sc2cc(NC(=O)CCNC(N)=O)ccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)N |
