C73
Summary
| Name: | 2-(carbamoylamino)-5-(4-chlorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide |
| Formula: | C17 H19 Cl N4 O2 S |
| Formal charge: | 0 |
| Formula weight: | 378.876 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(carbamoylamino)-5-(4-chlorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide |
| OpenEye OEToolkits | 1.7.0 | 2-(aminocarbonylamino)-5-(4-chlorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc2sc(cc2C(=O)NC1CCCNC1)c3ccc(Cl)cc3)N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=O)Nc1sc(cc1C(=O)N[C@H]2CCCNC2)c3ccc(Cl)cc3 |
| SMILES | CACTVS | 3.370 | NC(=O)Nc1sc(cc1C(=O)N[CH]2CCCNC2)c3ccc(Cl)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1c2cc(c(s2)NC(=O)N)C(=O)N[C@H]3CCCNC3)Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1c2cc(c(s2)NC(=O)N)C(=O)NC3CCCNC3)Cl |
| InChI | InChI | 1.03 | InChI=1S/C17H19ClN4O2S/c18-11-5-3-10(4-6-11)14-8-13(16(25-14)22-17(19)24)15(23)21-12-2-1-7-20-9-12/h3-6,8,12,20H,1-2,7,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | MZBVMTJFZZINAF-LBPRGKRZSA-N |
