5-(1-adamantylcarbonylamino)-4-cyano-N,N-diethyl-3-methyl-thiophene-2-carboxamide

Systemtic Name: 5-(1-adamantylcarbonylamino)-4-cyano-N,N-diethyl-3-methyl-thiophene-2-carboxamide Openeye Name: 5-(adamantane-1-carbonylamino)-4-cyano-N,N-diethyl-3-methyl-thiophene-2-carboxamide CAS Name: 5-[[1-adamantyl(oxo)methyl]amino]-4-cyano-N,N-diethyl-3-methyl-2-thiophenecarboxamide IUPAC Name: 5-(adamantane-1-carbonylamino)-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide Traditional Name: 5-(adamantane-1-carbonylamino)-4-cyano-N,N-diethyl-3-methyl-thiophene-2-carboxamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C23CC4CC(C2)CC(C4)C3)C#N)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C23CC4CC(C2)CC(C4)C3)C#N)C

InChI

InChI=1S/C22H29N3O2S/c1-4-25(5-2)20(26)18-13(3)17(12-23)19(28-18)24-21(27)22-9-14-6-15(10-22)8-16(7-14)11-22/h14-16H,4-11H2,1-3H3,(H,24,27)