BQT
Summary
| Name: | (2~{R})-2-azanyl-~{N}-(4-oxidanylidene-6,7-dihydro-5~{H}-1,3-benzothiazol-2-yl)propanamide |
| Formula: | C10 H13 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 239.294 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-2-azanyl-~{N}-(4-oxidanylidene-6,7-dihydro-5~{H}-1,3-benzothiazol-2-yl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H13N3O2S/c1-5(11)9(15)13-10-12-8-6(14)3-2-4-7(8)16-10/h5H,2-4,11H2,1H3,(H,12,13,15)/t5-/m1/s1 |
| InChIKey | InChI | 1.03 | IOUBCOWUBQDGKF-RXMQYKEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](N)C(=O)Nc1sc2CCCC(=O)c2n1 |
| SMILES | CACTVS | 3.385 | C[CH](N)C(=O)Nc1sc2CCCC(=O)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H](C(=O)Nc1nc2c(s1)CCCC2=O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C(=O)Nc1nc2c(s1)CCCC2=O)N |
