N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-N-methyl-4-(phenylcarbonyl)benzamide

Systemtic Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-N-methyl-4-(phenylcarbonyl)benzamide Openeye Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-benzoyl-N-methyl-benzamide CAS Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-benzoyl-N-methylbenzamide IUPAC Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-benzoyl-N-methylbenzamide Traditional Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-4-benzoyl-N-methyl-benzamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NN=C(S1)C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=C(C=C5)C(=O)C6=CC=CC=C6

Isomeric SMILES

CN(C1=NN=C(S1)C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=C(C=C5)C(=O)C6=CC=CC=C6

InChI

InChI=1S/C27H27N3O2S/c1-30(24(32)22-9-7-21(8-10-22)23(31)20-5-3-2-4-6-20)26-29-28-25(33-26)27-14-17-11-18(15-27)13-19(12-17)16-27/h2-10,17-19H,11-16H2,1H3