Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=C2NC(=Nc1c4c(sc12)ccc(/C=C/C3CC3)c4)CN(C)C |
SMILES_CANONICAL | CACTVS | 3.352 | CN(C)CC1=Nc2c(sc3ccc(/C=C/C4CC4)cc23)C(=O)N1 |
SMILES | CACTVS | 3.352 | CN(C)CC1=Nc2c(sc3ccc(C=CC4CC4)cc23)C(=O)N1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN(C)CC1=Nc2c3cc(ccc3sc2C(=O)N1)/C=C/C4CC4 |
SMILES | OpenEye OEToolkits | 1.7.0 | CN(C)CC1=Nc2c3cc(ccc3sc2C(=O)N1)C=CC4CC4 |
InChI | InChI | 1.03 | InChI=1S/C18H19N3OS/c1-21(2)10-15-19-16-13-9-12(6-5-11-3-4-11)7-8-14(13)23-17(16)18(22)20-15/h5-9,11H,3-4,10H2,1-2H3,(H,19,20,22)/b6-5+ |
InChIKey | InChI | 1.03 | CPHAAKSWOQSYIW-AATRIKPKSA-N |