3,5-bis[[bis(2-ethylhexyl)amino]methyl]-1,3,4-thiadiazol-2-one

Systemtic Name: 3,5-bis[[bis(2-ethylhexyl)amino]methyl]-1,3,4-thiadiazol-2-one Openeye Name: 3,5-bis[[bis(2-ethylhexyl)amino]methyl]-1,3,4-thiadiazol-2-one CAS Name: 3,5-bis[[bis(2-ethylhexyl)amino]methyl]-1,3,4-thiadiazol-2-one IUPAC Name: 3,5-bis[[bis(2-ethylhexyl)amino]methyl]-1,3,4-thiadiazol-2-one Traditional Name: 3,5-bis[[bis(2-ethylhexyl)amino]methyl]-1,3,4-thiadiazol-2-one Formula: C36H72N4OS MolecularWeight: 609.04808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN(CC1=NN(C(=O)S1)CN(CC(CC)CCCC)CC(CC)CCCC)CC(CC)CCCC

Isomeric SMILES

CCCCC(CC)CN(CC1=NN(C(=O)S1)CN(CC(CC)CCCC)CC(CC)CCCC)CC(CC)CCCC

InChI

InChI=1S/C36H72N4OS/c1-9-17-21-31(13-5)25-38(26-32(14-6)22-18-10-2)29-35-37-40(36(41)42-35)30-39(27-33(15-7)23-19-11-3)28-34(16-8)24-20-12-4/h31-34H,9-30H2,1-8H3