1-adamantyl-[4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]methanone Openeye Name: 1-adamantyl-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]methanone CAS Name: 1-adamantyl-[4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]methanone IUPAC Name: 1-adamantyl-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]methanone Traditional Name: 1-adamantyl-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]methanone Formula: C25H32N4OS MolecularWeight: 436.61278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C5=NC(=NS5)CC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C5=NC(=NS5)CC6=CC=CC=C6

InChI

InChI=1S/C25H32N4OS/c30-23(25-15-19-11-20(16-25)13-21(12-19)17-25)28-7-4-8-29(10-9-28)24-26-22(27-31-24)14-18-5-2-1-3-6-18/h1-3,5-6,19-21H,4,7-17H2