N-[3-methyl-1-oxidanylidene-1-(1-thiophen-2-ylethylamino)butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[3-methyl-1-oxidanylidene-1-(1-thiophen-2-ylethylamino)butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[2-methyl-1-[1-(2-thienyl)ethylcarbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[3-methyl-1-oxo-1-(1-thiophen-2-ylethylamino)butan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[3-methyl-1-oxo-1-(1-thiophen-2-ylethylamino)butan-2-yl]adamantane-1-carboxamide Traditional Name: N-[2-methyl-1-[1-(2-thienyl)ethylcarbamoyl]propyl]adamantane-1-carboxamide Formula: C22H32N2O2S MolecularWeight: 388.56668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C)C1=CC=CS1)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)C(C(=O)NC(C)C1=CC=CS1)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H32N2O2S/c1-13(2)19(20(25)23-14(3)18-5-4-6-27-18)24-21(26)22-10-15-7-16(11-22)9-17(8-15)12-22/h4-6,13-17,19H,7-12H2,1-3H3,(H,23,25)(H,24,26)