3-[(4-bromophenyl)sulfonylamino]-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)propanamide

Systemtic Name: 3-[(4-bromophenyl)sulfonylamino]-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: 3-[(4-bromophenyl)sulfonylamino]-N-[5-(1-methylbutyl)-1,3,4-thiadiazol-2-yl]propanamide CAS Name: 3-[(4-bromophenyl)sulfonylamino]-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)propanamide IUPAC Name: 3-[(4-bromophenyl)sulfonylamino]-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: 3-(brosylamino)-N-[5-(1-methylbutyl)-1,3,4-thiadiazol-2-yl]propionamide Formula: C16H21BrN4O3S2 MolecularWeight: 461.39694

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=NN=C(S1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCC(C)C1=NN=C(S1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H21BrN4O3S2/c1-3-4-11(2)15-20-21-16(25-15)19-14(22)9-10-18-26(23,24)13-7-5-12(17)6-8-13/h5-8,11,18H,3-4,9-10H2,1-2H3,(H,19,21,22)