A1IXP
Summary
| Name: | 2-azanyl-~{N}-[2-(3-chlorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide |
| Formula: | C16 H14 Cl N3 O S |
| Formal charge: | 0 |
| Formula weight: | 331.82 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-~{N}-[2-(3-chlorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H14ClN3OS/c17-12-3-1-2-10(8-12)6-7-19-15(21)11-4-5-13-14(9-11)22-16(18)20-13/h1-5,8-9H,6-7H2,(H2,18,20)(H,19,21) |
| InChIKey | InChI | 1.06 | CKPABJYZGRRZHO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1sc2cc(ccc2n1)C(=O)NCCc3cccc(Cl)c3 |
| SMILES | CACTVS | 3.385 | Nc1sc2cc(ccc2n1)C(=O)NCCc3cccc(Cl)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)CCNC(=O)c2ccc3c(c2)sc(n3)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)CCNC(=O)c2ccc3c(c2)sc(n3)N |
