PBD
Summary
| Name: | 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea |
| Formula: | C15 H20 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 320.41 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea |
| OpenEye OEToolkits | 1.7.0 | 1-(3,4-dimethoxyphenyl)-3-(3-imidazol-1-ylpropyl)thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S=C(NCCCn1ccnc1)Nc2ccc(OC)c(OC)c2 |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(NC(=S)NCCCn2ccnc2)cc1OC |
| SMILES | CACTVS | 3.370 | COc1ccc(NC(=S)NCCCn2ccnc2)cc1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1ccc(cc1OC)NC(=S)NCCCn2ccnc2 |
| SMILES | OpenEye OEToolkits | 1.7.0 | COc1ccc(cc1OC)NC(=S)NCCCn2ccnc2 |
| InChI | InChI | 1.03 | InChI=1S/C15H20N4O2S/c1-20-13-5-4-12(10-14(13)21-2)18-15(22)17-6-3-8-19-9-7-16-11-19/h4-5,7,9-11H,3,6,8H2,1-2H3,(H2,17,18,22) |
| InChIKey | InChI | 1.03 | FZQXMGLQANXZRP-UHFFFAOYSA-N |
