N-[(2R)-3-methyl-1-[[(2R)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]amino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2R)-3-methyl-1-[[(2R)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]amino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1R)-2-methyl-1-[[(2R)-2-morpholino-2-(2-thienyl)ethyl]carbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[(2R)-3-methyl-1-[[(2R)-2-(4-morpholinyl)-2-thiophen-2-ylethyl]amino]-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2R)-3-methyl-1-[[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1R)-2-methyl-1-[[(2R)-2-morpholino-2-(2-thienyl)ethyl]carbamoyl]propyl]adamantane-1-carboxamide Formula: C26H39N3O3S MolecularWeight: 473.67116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(C1=CC=CS1)N2CCOCC2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)[C@H](C(=O)NC[C@H](C1=CC=CS1)N2CCOCC2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H39N3O3S/c1-17(2)23(28-25(31)26-13-18-10-19(14-26)12-20(11-18)15-26)24(30)27-16-21(22-4-3-9-33-22)29-5-7-32-8-6-29/h3-4,9,17-21,23H,5-8,10-16H2,1-2H3,(H,27,30)(H,28,31)/t18?,19?,20?,21-,23-,26?/m1/s1