A1CPN
Summary
| Name: | 4-[(1H-1,3-benzimidazol-2-yl)sulfanyl]butanamide |
| Formula: | C11 H13 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 235.305 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4-[(1H-1,3-benzimidazol-2-yl)sulfanyl]butanamide |
| OpenEye OEToolkits | 3.1.0.0 | 4-(1~{H}-benzimidazol-2-ylsulfanyl)butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC(=O)CCCSc1nc2ccccc2[NH]1 |
| InChI | InChI | 1.06 | InChI=1S/C11H13N3OS/c12-10(15)6-3-7-16-11-13-8-4-1-2-5-9(8)14-11/h1-2,4-5H,3,6-7H2,(H2,12,15)(H,13,14) |
| InChIKey | InChI | 1.06 | NJSGOXGECPJNCR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)CCCSc1[nH]c2ccccc2n1 |
| SMILES | CACTVS | 3.385 | NC(=O)CCCSc1[nH]c2ccccc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)[nH]c(n2)SCCCC(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc2c(c1)[nH]c(n2)SCCCC(=O)N |
