FO9
Summary
| Name: | famotidine |
| Formula: | C8 H17 N7 O2 S3 |
| Formal charge: | 0 |
| Formula weight: | 339.461 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[[2-[bis(azanyl)methylideneamino]-5~{H}-1,3-thiazol-4-yl]methylsulfanyl]-~{N}'-sulfamoyl-propanimidamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H17N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h19H,1-4H2,(H2,9,15)(H4,10,11,14)(H2,12,16,17) |
| InChIKey | InChI | 1.03 | YFGRAZUYIUBWJO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(N)=NC1=[SH]CC(=N1)CSCCC(N)=N[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | NC(N)=NC1=[SH]CC(=N1)CSCCC(N)=N[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1C(=NC(=S1)N=C(N)N)CSCC/C(=N/S(=O)(=O)N)/N |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1C(=NC(=S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N |
