7UU
Summary
| Name: | ~{N}-methyl-~{N}-[3-[(2-oxidanylidenechromen-4-yl)amino]propyl]thiophene-2-carboxamide |
| Formula: | C18 H18 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 342.412 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-methyl-~{N}-[3-[(2-oxidanylidenechromen-4-yl)amino]propyl]thiophene-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H18N2O3S/c1-20(18(22)16-8-4-11-24-16)10-5-9-19-14-12-17(21)23-15-7-3-2-6-13(14)15/h2-4,6-8,11-12,19H,5,9-10H2,1H3 |
| InChIKey | InChI | 1.03 | GHTHAUJPTBYQOJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CCCNC1=CC(=O)Oc2ccccc12)C(=O)c3sccc3 |
| SMILES | CACTVS | 3.385 | CN(CCCNC1=CC(=O)Oc2ccccc12)C(=O)c3sccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN(CCCNC1=CC(=O)Oc2c1cccc2)C(=O)c3cccs3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN(CCCNC1=CC(=O)Oc2c1cccc2)C(=O)c3cccs3 |
