Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1S/C(C(=O)N1Cc2ccc(cc2)C)=C\c3cc(Br)ccc3OC |
InChI | InChI | 1.03 | InChI=1S/C19H16BrNO3S/c1-12-3-5-13(6-4-12)11-21-18(22)17(25-19(21)23)10-14-9-15(20)7-8-16(14)24-2/h3-10H,11H2,1-2H3/b17-10- |
InChIKey | InChI | 1.03 | AMLZLORVKZAHOH-YVLHZVERSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(Br)cc1\C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O |
SMILES | CACTVS | 3.370 | COc1ccc(Br)cc1C=C2SC(=O)N(Cc3ccc(C)cc3)C2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1ccc(cc1)CN2C(=O)/C(=C/c3cc(ccc3OC)Br)/SC2=O |
SMILES | OpenEye OEToolkits | 1.7.2 | Cc1ccc(cc1)CN2C(=O)C(=Cc3cc(ccc3OC)Br)SC2=O |