N-[3-[[2-(1-adamantylcarbonylamino)-3-methyl-butanoyl]amino]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[[2-(1-adamantylcarbonylamino)-3-methyl-butanoyl]amino]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[[2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]amino]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[2-[[1-adamantyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[[2-(adamantane-1-carbonylamino)-3-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[[2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]amino]phenyl]thiophene-2-carboxamide Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=CS2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)C(C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=CS2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H33N3O3S/c1-16(2)23(30-26(33)27-13-17-9-18(14-27)11-19(10-17)15-27)25(32)29-21-6-3-5-20(12-21)28-24(31)22-7-4-8-34-22/h3-8,12,16-19,23H,9-11,13-15H2,1-2H3,(H,28,31)(H,29,32)(H,30,33)