(5S,7R)-3-acetamido-N-[(2R)-2-(dimethylamino)-2-thiophen-2-yl-ethyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-acetamido-N-[(2R)-2-(dimethylamino)-2-thiophen-2-yl-ethyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-acetamido-N-[(2R)-2-(dimethylamino)-2-(2-thienyl)ethyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-acetamido-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-acetamido-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-acetamido-N-[(2R)-2-(dimethylamino)-2-(2-thienyl)ethyl]adamantane-1-carboxamide Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NCC(C4=CC=CS4)N(C)C

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)NC[C@H](C4=CC=CS4)N(C)C

InChI

InChI=1S/C21H31N3O2S/c1-14(25)23-21-10-15-7-16(11-21)9-20(8-15,13-21)19(26)22-12-17(24(2)3)18-5-4-6-27-18/h4-6,15-17H,7-13H2,1-3H3,(H,22,26)(H,23,25)/t15-,16+,17-,20?,21?/m1/s1