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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[[5-(tetrahydrofuran-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[[5-(2-oxolanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]propanamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[[5-(tetrahydrofurfurylamino)-1,3,4-thiadiazol-2-yl]thio]propionamide Formula: C17H21BrN4O2S2 MolecularWeight: 457.40824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NN=C(S2)NCC3CCCO3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NN=C(S2)NCC3CCCO3)Br

InChI

InChI=1S/C17H21BrN4O2S2/c1-10-5-6-14(13(18)8-10)20-15(23)11(2)25-17-22-21-16(26-17)19-9-12-4-3-7-24-12/h5-6,8,11-12H,3-4,7,9H2,1-2H3,(H,19,21)(H,20,23)