1-(1-adamantylcarbonyl)-N-(1,3-benzothiazol-2-ylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: 1-(1-adamantylcarbonyl)-N-(1,3-benzothiazol-2-ylmethyl)pyrrolidine-2-carboxamide Openeye Name: 1-(adamantane-1-carbonyl)-N-(1,3-benzothiazol-2-ylmethyl)pyrrolidine-2-carboxamide CAS Name: 1-[1-adamantyl(oxo)methyl]-N-(1,3-benzothiazol-2-ylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: 1-(adamantane-1-carbonyl)-N-(1,3-benzothiazol-2-ylmethyl)pyrrolidine-2-carboxamide Traditional Name: 1-(adamantane-1-carbonyl)-N-(1,3-benzothiazol-2-ylmethyl)pyrrolidine-2-carboxamide Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NCC5=NC6=CC=CC=C6S5

Isomeric SMILES

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NCC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C24H29N3O2S/c28-22(25-14-21-26-18-4-1-2-6-20(18)30-21)19-5-3-7-27(19)23(29)24-11-15-8-16(12-24)10-17(9-15)13-24/h1-2,4,6,15-17,19H,3,5,7-14H2,(H,25,28)