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

Systemtic Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3,5-ditert-butyl-benzamide Openeye Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3,5-ditert-butyl-benzamide CAS Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3,5-ditert-butylbenzamide IUPAC Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3,5-ditert-butylbenzamide Traditional Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3,5-ditert-butyl-benzamide Formula: C27H37N3OS MolecularWeight: 451.66718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)C34CC5CC(C3)CC(C5)C4)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)NC2=NN=C(S2)C34CC5CC(C3)CC(C5)C4)C(C)(C)C

InChI

InChI=1S/C27H37N3OS/c1-25(2,3)20-10-19(11-21(12-20)26(4,5)6)22(31)28-24-30-29-23(32-24)27-13-16-7-17(14-27)9-18(8-16)15-27/h10-12,16-18H,7-9,13-15H2,1-6H3,(H,28,30,31)