Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C2C(=C(SC1CCCCC1)N(C(=O)N2)COCC)C(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CCOCN1C(=O)NC(=O)C(=C1SC2CCCCC2)C(C)C |
SMILES | CACTVS | 3.341 | CCOCN1C(=O)NC(=O)C(=C1SC2CCCCC2)C(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCOCN1C(=C(C(=O)NC1=O)C(C)C)SC2CCCCC2 |
SMILES | OpenEye OEToolkits | 1.5.0 | CCOCN1C(=C(C(=O)NC1=O)C(C)C)SC2CCCCC2 |
InChI | InChI | 1.03 | InChI=1S/C16H26N2O3S/c1-4-21-10-18-15(22-12-8-6-5-7-9-12)13(11(2)3)14(19)17-16(18)20/h11-12H,4-10H2,1-3H3,(H,17,19,20) |
InChIKey | InChI | 1.03 | JKXLRLDPSLZEDD-UHFFFAOYSA-N |