YDJ
Summary
| Name: | 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide |
| Formula: | C17 H19 F N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 362.422 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(carbamoylamino)-5-(3-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide |
| OpenEye OEToolkits | 1.7.0 | 3-(aminocarbonylamino)-5-(3-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1sc(cc1NC(=O)N)c2cccc(F)c2)NC3CCCNC3 |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=O)Nc1cc(sc1C(=O)N[C@H]2CCCNC2)c3cccc(F)c3 |
| SMILES | CACTVS | 3.370 | NC(=O)Nc1cc(sc1C(=O)N[CH]2CCCNC2)c3cccc(F)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(cc(c1)F)c2cc(c(s2)C(=O)N[C@H]3CCCNC3)NC(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(cc(c1)F)c2cc(c(s2)C(=O)NC3CCCNC3)NC(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | IAYGCINLNONXHY-LBPRGKRZSA-N |
