H7R
Summary
| Name: | 7-methoxy-2-methylsulfanyl-9-(piperidin-4-ylmethylsulfanyl)-[1,3]thiazolo[5,4-b]quinoline |
| Formula: | C18 H21 N3 O S3 |
| Formal charge: | 0 |
| Formula weight: | 391.574 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-methoxy-2-methylsulfanyl-9-(piperidin-4-ylmethylsulfanyl)-[1,3]thiazolo[5,4-b]quinoline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H21N3OS3/c1-22-12-3-4-14-13(9-12)16(24-10-11-5-7-19-8-6-11)15-17(20-14)25-18(21-15)23-2/h3-4,9,11,19H,5-8,10H2,1-2H3 |
| InChIKey | InChI | 1.03 | KISGNIWYHBITOB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2nc3sc(SC)nc3c(SCC4CCNCC4)c2c1 |
| SMILES | CACTVS | 3.385 | COc1ccc2nc3sc(SC)nc3c(SCC4CCNCC4)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)c(c3c(n2)sc(n3)SC)SCC4CCNCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2c(c1)c(c3c(n2)sc(n3)SC)SCC4CCNCC4 |
