N-(1-adamantyl)-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(1-adamantyl)-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide Openeye Name: N-(1-adamantyl)-4-(3-benzyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide CAS Name: N-(1-adamantyl)-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(1-adamantyl)-4-(3-benzyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-(1-adamantyl)-4-(3-benzyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide Formula: C25H33N5OS MolecularWeight: 451.62742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC23CC4CC(C2)CC(C4)C3)C5=NC(=NS5)CC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC23CC4CC(C2)CC(C4)C3)C5=NC(=NS5)CC6=CC=CC=C6

InChI

InChI=1S/C25H33N5OS/c31-23(27-25-15-19-11-20(16-25)13-21(12-19)17-25)29-7-4-8-30(10-9-29)24-26-22(28-32-24)14-18-5-2-1-3-6-18/h1-3,5-6,19-21H,4,7-17H2,(H,27,31)