Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H21N3O3S/c1-13-12-16-17(24)20(25)6-7-23(19(20)21-18(16)27-13)15-4-2-14(3-5-15)22-8-10-26-11-9-22/h2-5,12,25H,6-11H2,1H3/t20-/m1/s1 |
InChIKey | InChI | 1.03 | KUIAFBSRBMWQQP-HXUWFJFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1sc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c4ccc(cc4)N5CCOCC5 |
SMILES | CACTVS | 3.385 | Cc1sc2N=C3N(CC[C]3(O)C(=O)c2c1)c4ccc(cc4)N5CCOCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc2c(s1)N=C3[C@](C2=O)(CCN3c4ccc(cc4)N5CCOCC5)O |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc2c(s1)N=C3C(C2=O)(CCN3c4ccc(cc4)N5CCOCC5)O |