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

Systemtic Name: 4-hexyl-N-[3-methyl-1-oxidanylidene-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide Openeye Name: 4-hexyl-N-[2-methyl-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]butyl]benzamide CAS Name: 4-hexyl-N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide IUPAC Name: 4-hexyl-N-[3-methyl-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]pentan-2-yl]benzamide Traditional Name: 4-hexyl-N-[2-methyl-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]butyl]benzamide Formula: C27H34N4O2S MolecularWeight: 478.64946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)NC(C(C)CC)C(=O)NC2=NN=C(S2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)NC(C(C)CC)C(=O)NC2=NN=C(S2)C3=CC=CC=C3

InChI

InChI=1S/C27H34N4O2S/c1-4-6-7-9-12-20-15-17-21(18-16-20)24(32)28-23(19(3)5-2)25(33)29-27-31-30-26(34-27)22-13-10-8-11-14-22/h8,10-11,13-19,23H,4-7,9,12H2,1-3H3,(H,28,32)(H,29,31,33)