Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C3SC=C(c1cc(ccc1)S(=O)(=O)NC2CCCC2)N3 |
InChI | InChI | 1.03 | InChI=1S/C14H16N2O3S2/c17-14-15-13(9-20-14)10-4-3-7-12(8-10)21(18,19)16-11-5-1-2-6-11/h3-4,7-9,11,16H,1-2,5-6H2,(H,15,17) |
InChIKey | InChI | 1.03 | YNSRHWKJAMIAPD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC(=CS1)c2cccc(c2)[S](=O)(=O)NC3CCCC3 |
SMILES | CACTVS | 3.385 | O=C1NC(=CS1)c2cccc(c2)[S](=O)(=O)NC3CCCC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)S(=O)(=O)NC2CCCC2)C3=CSC(=O)N3 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)S(=O)(=O)NC2CCCC2)C3=CSC(=O)N3 |