A1L5P
Summary
| Name: | 3-[1-(5,6,7,8-tetrahydro-4~{H}-cyclohepta[b]thiophen-2-ylcarbonyl)piperidin-4-yl]-1~{H}-benzimidazol-2-one |
| Formula: | C22 H25 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 395.518 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[1-(5,6,7,8-tetrahydro-4~{H}-cyclohepta[b]thiophen-2-ylcarbonyl)piperidin-4-yl]-1~{H}-benzimidazol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H25N3O2S/c26-21(20-14-15-6-2-1-3-9-19(15)28-20)24-12-10-16(11-13-24)25-18-8-5-4-7-17(18)23-22(25)27/h4-5,7-8,14,16H,1-3,6,9-13H2,(H,23,27) |
| InChIKey | InChI | 1.06 | AXWRAIIIBRLXBP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1Nc2ccccc2N1C3CCN(CC3)C(=O)c4sc5CCCCCc5c4 |
| SMILES | CACTVS | 3.385 | O=C1Nc2ccccc2N1C3CCN(CC3)C(=O)c4sc5CCCCCc5c4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)NC(=O)N2C3CCN(CC3)C(=O)c4cc5c(s4)CCCCC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)NC(=O)N2C3CCN(CC3)C(=O)c4cc5c(s4)CCCCC5 |
