N-[(2R)-1-(1-adamantylmethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2R)-1-(1-adamantylmethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1R)-1-(1-adamantylmethylcarbamoyl)-2-methyl-propyl]thiophene-2-carboxamide CAS Name: N-[(2R)-1-(1-adamantylmethylamino)-3-methyl-1-oxobutan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2R)-1-(1-adamantylmethylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1R)-1-(1-adamantylmethylcarbamoyl)-2-methyl-propyl]thiophene-2-carboxamide Formula: C21H30N2O2S MolecularWeight: 374.5401

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CS4

Isomeric SMILES

CC(C)[C@H](C(=O)NCC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H30N2O2S/c1-13(2)18(23-19(24)17-4-3-5-26-17)20(25)22-12-21-9-14-6-15(10-21)8-16(7-14)11-21/h3-5,13-16,18H,6-12H2,1-2H3,(H,22,25)(H,23,24)/t14?,15?,16?,18-,21?/m1/s1