YDK
Summary
| Name: | 2-(CARBAMOYLAMINO)-5-PHENYL-N-[(3S)-PIPERIDIN-3-YL]THIOPHENE-3-CARBOXAMIDE |
| Formula: | C17 H20 N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 344.431 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(carbamoylamino)-5-phenyl-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide |
| OpenEye OEToolkits | 1.7.0 | 2-(aminocarbonylamino)-5-phenyl-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc2sc(cc2C(=O)NC1CCCNC1)c3ccccc3)N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=O)Nc1sc(cc1C(=O)N[C@H]2CCCNC2)c3ccccc3 |
| SMILES | CACTVS | 3.370 | NC(=O)Nc1sc(cc1C(=O)N[CH]2CCCNC2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N[C@H]3CCCNC3 |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)NC3CCCNC3 |
| InChI | InChI | 1.03 | InChI=1S/C17H20N4O2S/c18-17(23)21-16-13(15(22)20-12-7-4-8-19-10-12)9-14(24-16)11-5-2-1-3-6-11/h1-3,5-6,9,12,19H,4,7-8,10H2,(H,20,22)(H3,18,21,23)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | UXZRCIBKIDILEF-LBPRGKRZSA-N |
