(2R)-1-(1-adamantylcarbonyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide

Systemtic Name: (2R)-1-(1-adamantylcarbonyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide Openeye Name: (2R)-1-(adamantane-1-carbonyl)-N-(2-morpholino-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide CAS Name: (2R)-1-[1-adamantyl(oxo)methyl]-N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2R)-1-(adamantane-1-carbonyl)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide Traditional Name: (2R)-1-(adamantane-1-carbonyl)-N-(2-morpholino-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC6=C(C=C5)N=C(S6)N7CCOCC7

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC6=C(C=C5)N=C(S6)N7CCOCC7

InChI

InChI=1S/C27H34N4O3S/c32-24(28-20-3-4-21-23(13-20)35-26(29-21)30-6-8-34-9-7-30)22-2-1-5-31(22)25(33)27-14-17-10-18(15-27)12-19(11-17)16-27/h3-4,13,17-19,22H,1-2,5-12,14-16H2,(H,28,32)/t17?,18?,19?,22-,27?/m1/s1