N-(1-adamantyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

Systemtic Name: N-(1-adamantyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide Openeye Name: N-(1-adamantyl)-2-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide CAS Name: N-(1-adamantyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]thio]propanamide IUPAC Name: N-(1-adamantyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide Traditional Name: N-(1-adamantyl)-2-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]thio]propionamide Formula: C21H28N4OS3 MolecularWeight: 448.66822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=C(S4)NCCC5=CC=CS5

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=C(S4)NCCC5=CC=CS5

InChI

InChI=1S/C21H28N4OS3/c1-13(18(26)23-21-10-14-7-15(11-21)9-16(8-14)12-21)28-20-25-24-19(29-20)22-5-4-17-3-2-6-27-17/h2-3,6,13-16H,4-5,7-12H2,1H3,(H,22,24)(H,23,26)