AXX
Summary
| Name: | 2-[(CYCLOPROPYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE |
| Formula: | C13 H16 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 264.343 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-[(cyclopropylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| OpenEye OEToolkits | 1.5.0 | 2-(cyclopropylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c1c3c(sc1NC(=O)C2CC2)CCCC3)N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=O)c1c(NC(=O)C2CC2)sc3CCCCc13 |
| SMILES | CACTVS | 3.341 | NC(=O)c1c(NC(=O)C2CC2)sc3CCCCc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1CCc2c(c(c(s2)NC(=O)C3CC3)C(=O)N)C1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CCc2c(c(c(s2)NC(=O)C3CC3)C(=O)N)C1 |
| InChI | InChI | 1.03 | InChI=1S/C13H16N2O2S/c14-11(16)10-8-3-1-2-4-9(8)18-13(10)15-12(17)7-5-6-7/h7H,1-6H2,(H2,14,16)(H,15,17) |
| InChIKey | InChI | 1.03 | VATFNEMGBRWLHI-UHFFFAOYSA-N |
