BNQ
Summary
| Name: | ~{N}-(1,3-benzothiazol-2-yl)-3,3-diphenyl-propanamide |
| Formula: | C22 H18 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 358.456 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(1,3-benzothiazol-2-yl)-3,3-diphenyl-propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H18N2OS/c25-21(24-22-23-19-13-7-8-14-20(19)26-22)15-18(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,18H,15H2,(H,23,24,25) |
| InChIKey | InChI | 1.03 | GYQWKTIZRYVFEM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(CC(c1ccccc1)c2ccccc2)Nc3sc4ccccc4n3 |
| SMILES | CACTVS | 3.385 | O=C(CC(c1ccccc1)c2ccccc2)Nc3sc4ccccc4n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C(CC(=O)Nc2nc3ccccc3s2)c4ccccc4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C(CC(=O)Nc2nc3ccccc3s2)c4ccccc4 |
