1-[3-(2-hexyldecoxy)propyl]-3-[(5-methyl-2,1-benzothiazol-3-yl)amino]urea

Systemtic Name: 1-[3-(2-hexyldecoxy)propyl]-3-[(5-methyl-2,1-benzothiazol-3-yl)amino]urea Openeye Name: 1-[3-(2-hexyldecoxy)propyl]-3-[(5-methyl-2,1-benzothiazol-3-yl)amino]urea CAS Name: 1-[3-(2-hexyldecoxy)propyl]-3-[(5-methyl-2,1-benzothiazol-3-yl)amino]urea IUPAC Name: 1-[3-(2-hexyldecoxy)propyl]-3-[(5-methyl-2,1-benzothiazol-3-yl)amino]urea Traditional Name: 1-[3-(2-hexyldecoxy)propyl]-3-[(5-methyl-2,1-benzothiazol-3-yl)amino]urea Formula: C28H48N4O2S MolecularWeight: 504.77132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCC)COCCCNC(=O)NNC1=C2C=C(C=CC2=NS1)C

Isomeric SMILES

CCCCCCCCC(CCCCCC)COCCCNC(=O)NNC1=C2C=C(C=CC2=NS1)C

InChI

InChI=1S/C28H48N4O2S/c1-4-6-8-10-11-13-16-24(15-12-9-7-5-2)22-34-20-14-19-29-28(33)31-30-27-25-21-23(3)17-18-26(25)32-35-27/h17-18,21,24,30H,4-16,19-20,22H2,1-3H3,(H2,29,31,33)