N-[3-methyl-1-oxidanylidene-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]octanamide

Systemtic Name: N-[3-methyl-1-oxidanylidene-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]octanamide Openeye Name: N-[2-methyl-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]butyl]octanamide CAS Name: N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]octanamide IUPAC Name: N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]octanamide Traditional Name: N-[2-methyl-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]butyl]caprylamide Formula: C22H32N4O2S MolecularWeight: 416.58008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(C(C)CC)C(=O)NC1=NN=C(S1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)NC(C(C)CC)C(=O)NC1=NN=C(S1)C2=CC=CC=C2

InChI

InChI=1S/C22H32N4O2S/c1-4-6-7-8-12-15-18(27)23-19(16(3)5-2)20(28)24-22-26-25-21(29-22)17-13-10-9-11-14-17/h9-11,13-14,16,19H,4-8,12,15H2,1-3H3,(H,23,27)(H,24,26,28)