N-[4-[(E)-N-[2-(1-adamantyl)ethanoylamino]-C-methyl-carbonimidoyl]phenyl]-5-methyl-thiophene-2-carboxamide

Systemtic Name: N-[4-[(E)-N-[2-(1-adamantyl)ethanoylamino]-C-methyl-carbonimidoyl]phenyl]-5-methyl-thiophene-2-carboxamide Openeye Name: N-[4-[(E)-N-[[2-(1-adamantyl)acetyl]amino]-C-methyl-carbonimidoyl]phenyl]-5-methyl-thiophene-2-carboxamide CAS Name: N-[4-[(1E)-1-[[2-(1-adamantyl)-1-oxoethyl]hydrazinylidene]ethyl]phenyl]-5-methyl-2-thiophenecarboxamide IUPAC Name: N-[4-[(E)-N-[[2-(1-adamantyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-5-methylthiophene-2-carboxamide Traditional Name: N-[4-[(E)-N-[[2-(1-adamantyl)acetyl]amino]-C-methyl-carbonimidoyl]phenyl]-5-methyl-thiophene-2-carboxamide Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)NC2=CC=C(C=C2)C(=NNC(=O)CC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC=C(S1)C(=O)NC2=CC=C(C=C2)/C(=N/NC(=O)CC34CC5CC(C3)CC(C5)C4)/C

InChI

InChI=1S/C26H31N3O2S/c1-16-3-8-23(32-16)25(31)27-22-6-4-21(5-7-22)17(2)28-29-24(30)15-26-12-18-9-19(13-26)11-20(10-18)14-26/h3-8,18-20H,9-15H2,1-2H3,(H,27,31)(H,29,30)/b28-17+