Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2c1c6c(ccc1)cccc6C(=O)N2CCCSc5nnc(c3ccncc3)n5c4ccc(OC)cc4 |
InChI | InChI | 1.03 | InChI=1S/C29H23N5O3S/c1-37-22-11-9-21(10-12-22)34-26(20-13-15-30-16-14-20)31-32-29(34)38-18-4-17-33-27(35)23-7-2-5-19-6-3-8-24(25(19)23)28(33)36/h2-3,5-16H,4,17-18H2,1H3 |
InChIKey | InChI | 1.03 | RNUXIZKXJOGYQP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)n2c(SCCCN3C(=O)c4cccc5cccc(C3=O)c45)nnc2c6ccncc6 |
SMILES | CACTVS | 3.385 | COc1ccc(cc1)n2c(SCCCN3C(=O)c4cccc5cccc(C3=O)c45)nnc2c6ccncc6 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COc1ccc(cc1)n2c(nnc2SCCCN3C(=O)c4cccc5c4c(ccc5)C3=O)c6ccncc6 |
SMILES | OpenEye OEToolkits | 1.9.2 | COc1ccc(cc1)n2c(nnc2SCCCN3C(=O)c4cccc5c4c(ccc5)C3=O)c6ccncc6 |