Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(N(C)Cc1nc(no1)C(c1ccccc1)c1ccccc1)c1cccs1 |
InChI | InChI | 1.06 | InChI=1S/C23H23N3OS/c1-17(20-14-9-15-28-20)26(2)16-21-24-23(25-27-21)22(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-15,17,22H,16H2,1-2H3/t17-/m0/s1 |
InChIKey | InChI | 1.06 | YMVZNLFSCPAPNW-KRWDZBQOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N(C)Cc1onc(n1)C(c2ccccc2)c3ccccc3)c4sccc4 |
SMILES | CACTVS | 3.385 | C[CH](N(C)Cc1onc(n1)C(c2ccccc2)c3ccccc3)c4sccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1cccs1)N(C)Cc2nc(no2)C(c3ccccc3)c4ccccc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1cccs1)N(C)Cc2nc(no2)C(c3ccccc3)c4ccccc4 |