JMK
Summary
| Name: | 2-[4-(1~{H}-indol-3-ylmethyl)piperazin-1-yl]-1,3-benzothiazole |
| Formula: | C20 H20 N4 S |
| Formal charge: | 0 |
| Formula weight: | 348.465 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[4-(1~{H}-indol-3-ylmethyl)piperazin-1-yl]-1,3-benzothiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H20N4S/c1-2-6-17-16(5-1)15(13-21-17)14-23-9-11-24(12-10-23)20-22-18-7-3-4-8-19(18)25-20/h1-8,13,21H,9-12,14H2 |
| InChIKey | InChI | 1.03 | RCRIPVWIXYCQFS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1CN(CCN1Cc2c[nH]c3ccccc23)c4sc5ccccc5n4 |
| SMILES | CACTVS | 3.385 | C1CN(CCN1Cc2c[nH]c3ccccc23)c4sc5ccccc5n4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)CN3CCN(CC3)c4nc5ccccc5s4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)CN3CCN(CC3)c4nc5ccccc5s4 |
