88W
Summary
| Name: | N~3~-(ethylcarbamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-beta-alaninamide |
| Synonyms: | 3-(ETHYLCARBAMOYLAMINO)-N-(2-METHYL-1,3-BENZOTHIAZOL-6- |
| Formula: | C14 H18 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 306.383 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~3~-(ethylcarbamoyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-beta-alaninamide |
| OpenEye OEToolkits | 1.9.2 | 3-(ethylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCC)NCCC(=O)Nc1ccc2nc(sc2c1)C |
| InChI | InChI | 1.03 | InChI=1S/C14H18N4O2S/c1-3-15-14(20)16-7-6-13(19)18-10-4-5-11-12(8-10)21-9(2)17-11/h4-5,8H,3,6-7H2,1-2H3,(H,18,19)(H2,15,16,20) |
| InChIKey | InChI | 1.03 | FBTWWPKAGBUCIB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCNC(=O)NCCC(=O)Nc1ccc2nc(C)sc2c1 |
| SMILES | CACTVS | 3.385 | CCNC(=O)NCCC(=O)Nc1ccc2nc(C)sc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCNC(=O)NCCC(=O)Nc1ccc2c(c1)sc(n2)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCNC(=O)NCCC(=O)Nc1ccc2c(c1)sc(n2)C |
