A1ASK
Summary
| Name: | N-[2-(dimethylamino)ethyl]-N'-(3-methylphenyl)thiourea |
| Formula: | C12 H19 N3 S |
| Formal charge: | 0 |
| Formula weight: | 237.364 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[2-(dimethylamino)ethyl]-N'-(3-methylphenyl)thiourea |
| OpenEye OEToolkits | 2.0.7 | 1-[2-(dimethylamino)ethyl]-3-(3-methylphenyl)thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | S=C(Nc1cc(C)ccc1)NCCN(C)C |
| InChI | InChI | 1.06 | InChI=1S/C12H19N3S/c1-10-5-4-6-11(9-10)14-12(16)13-7-8-15(2)3/h4-6,9H,7-8H2,1-3H3,(H2,13,14,16) |
| InChIKey | InChI | 1.06 | UJWWMHIPDGVAFU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCNC(=S)Nc1cccc(C)c1 |
| SMILES | CACTVS | 3.385 | CN(C)CCNC(=S)Nc1cccc(C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)NC(=S)NCCN(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)NC(=S)NCCN(C)C |
