N-(1-adamantylcarbamoyl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[[5-(tetrahydrofuran-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[[5-(2-oxolanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[[5-(tetrahydrofurfurylamino)-1,3,4-thiadiazol-2-yl]thio]propionamide Formula: C21H31N5O3S2 MolecularWeight: 465.63254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=C(S4)NCC5CCCO5

Isomeric SMILES

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN=C(S4)NCC5CCCO5

InChI

InChI=1S/C21H31N5O3S2/c1-12(30-20-26-25-19(31-20)22-11-16-3-2-4-29-16)17(27)23-18(28)24-21-8-13-5-14(9-21)7-15(6-13)10-21/h12-16H,2-11H2,1H3,(H,22,25)(H2,23,24,27,28)