Q5D
Summary
| Name: | 4-cyano-N-cyclopropyl-N-[(thiophen-2-yl)methyl]benzamide |
| Formula: | C16 H14 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 282.36 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-cyano-N-cyclopropyl-N-[(thiophen-2-yl)methyl]benzamide |
| OpenEye OEToolkits | 2.0.7 | 4-cyano-~{N}-cyclopropyl-~{N}-(thiophen-2-ylmethyl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(ccc(cc1)C(N(C2CC2)Cc3sccc3)=O)C#N |
| InChI | InChI | 1.03 | InChI=1S/C16H14N2OS/c17-10-12-3-5-13(6-4-12)16(19)18(14-7-8-14)11-15-2-1-9-20-15/h1-6,9,14H,7-8,11H2 |
| InChIKey | InChI | 1.03 | WYAGGMZTARRIDX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(N(Cc1sccc1)C2CC2)c3ccc(cc3)C#N |
| SMILES | CACTVS | 3.385 | O=C(N(Cc1sccc1)C2CC2)c3ccc(cc3)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)CN(C2CC2)C(=O)c3ccc(cc3)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(sc1)CN(C2CC2)C(=O)c3ccc(cc3)C#N |
