GQB
Summary
| Name: | ~{N}-[(2-azanyl-3~{H}-1,3-benzothiazol-6-yl)methyl]-1~{H}-indole-2-carboxamide |
| Formula: | C17 H16 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 324.4 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(2-azanyl-3~{H}-1,3-benzothiazol-6-yl)methyl]-1~{H}-indole-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H16N4OS/c18-17-21-13-6-5-10(7-15(13)23-17)9-19-16(22)14-8-11-3-1-2-4-12(11)20-14/h1-8,20-21,23H,9,18H2,(H,19,22) |
| InChIKey | InChI | 1.03 | GAUGHKFDIIXTPX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=[SH]c2cc(CNC(=O)c3[nH]c4ccccc4c3)ccc2N1 |
| SMILES | CACTVS | 3.385 | NC1=[SH]c2cc(CNC(=O)c3[nH]c4ccccc4c3)ccc2N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)cc([nH]2)C(=O)NCc3ccc4c(c3)S=C(N4)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)cc([nH]2)C(=O)NCc3ccc4c(c3)S=C(N4)N |
