(1R,2R,6S,7S)-4-{[(1R,2R)-2-{[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl}cyclohexyl]methyl}-4-azatricyclo[5.2.1.0²,?]decane-3,5-dione

CAS: 1318074-25-7

Formula: C28H36N4O2S

SMILES: [H][C@]12CC[C@]([H])(C1)[C@@H]1[C@H]2C(=O)N(C[C@@H]2CCCC[C@H]2CN2CCN(CC2)C2=NSC3=CC=CC=C23)C1=O

IUPAC: (1R,2R,6S,7S)-4-{[(1R,2R)-2-{[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl}cyclohexyl]methyl}-4-azatricyclo[5.2.1.0²,?]decane-3,5-dione

InChI: InChI=1S/C28H36N4O2S/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2/t18-,19+,20-,21+,24-,25-/m1/s1

Composition: C (68.26%), H (7.37%), N (11.37%), O (6.49%), S (6.51%)

Molar Mass: 492.68

Atom Count: 71

Heavy Atom Count: 35