X36
Summary
| Name: | [4-amino-2-(phenylamino)-1,3-thiazol-5-yl](phenyl)methanone |
| Formula: | C16 H13 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 295.359 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [4-amino-2-(phenylamino)-1,3-thiazol-5-yl](phenyl)methanone |
| OpenEye OEToolkits | 1.7.0 | (4-azanyl-2-phenylazanyl-1,3-thiazol-5-yl)-phenyl-methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1sc(nc1N)Nc2ccccc2)c3ccccc3 |
| SMILES_CANONICAL | CACTVS | 3.370 | Nc1nc(Nc2ccccc2)sc1C(=O)c3ccccc3 |
| SMILES | CACTVS | 3.370 | Nc1nc(Nc2ccccc2)sc1C(=O)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccccc3)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccccc3)N |
| InChI | InChI | 1.03 | InChI=1S/C16H13N3OS/c17-15-14(13(20)11-7-3-1-4-8-11)21-16(19-15)18-12-9-5-2-6-10-12/h1-10H,17H2,(H,18,19) |
| InChIKey | InChI | 1.03 | YOZXSIIEHFGLLO-UHFFFAOYSA-N |
