27A
Summary
| Name: | (Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide |
| Formula: | C13 H19 N5 S |
| Formal charge: | 0 |
| Formula weight: | 277.388 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (Z)-2-[2-(4-methylpiperazin-1-yl)benzyl]diazenecarbothioamide |
| OpenEye OEToolkits | 1.5.0 | (Z)-[2-(4-methylpiperazin-1-yl)phenyl]methyliminothiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | S=C(/N=N\Cc2c(N1CCN(C)CC1)cccc2)N |
| SMILES_CANONICAL | CACTVS | 3.341 | CN1CCN(CC1)c2ccccc2CN=NC(N)=S |
| SMILES | CACTVS | 3.341 | CN1CCN(CC1)c2ccccc2CN=NC(N)=S |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN1CCN(CC1)c2ccccc2C/N=N\C(=S)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN1CCN(CC1)c2ccccc2CN=NC(=S)N |
| InChI | InChI | 1.03 | InChI=1S/C13H19N5S/c1-17-6-8-18(9-7-17)12-5-3-2-4-11(12)10-15-16-13(14)19/h2-5H,6-10H2,1H3,(H2,14,19)/b16-15- |
| InChIKey | InChI | 1.03 | KAASZVAHBVMHCO-NXVVXOECSA-N |
