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

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]thio]propanamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]thio]propionamide Formula: C16H21BrN4OS2 MolecularWeight: 429.39814

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)NCC(C)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H21BrN4OS2/c1-9(2)8-18-15-20-21-16(24-15)23-11(4)14(22)19-13-6-5-10(3)7-12(13)17/h5-7,9,11H,8H2,1-4H3,(H,18,20)(H,19,22)