種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=S(=O)(c1ccccc1)N(C2=C(N)N(C(=O)NC2=O)Cc3ccccc3)C |
InChI | InChI | 1.03 | InChI=1S/C18H18N4O4S/c1-21(27(25,26)14-10-6-3-7-11-14)15-16(19)22(18(24)20-17(15)23)12-13-8-4-2-5-9-13/h2-11H,12,19H2,1H3,(H,20,23,24) |
InChIKey | InChI | 1.03 | NTXAKLDOOQBMCR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C1=C(N)N(Cc2ccccc2)C(=O)NC1=O)[S](=O)(=O)c3ccccc3 |
SMILES | CACTVS | 3.385 | CN(C1=C(N)N(Cc2ccccc2)C(=O)NC1=O)[S](=O)(=O)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)S(=O)(=O)c3ccccc3 |
SMILES | OpenEye OEToolkits | 1.9.2 | CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)S(=O)(=O)c3ccccc3 |