1-[2-(1-benzothiophen-3-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea

Systemtic Name: 1-[2-(1-benzothiophen-3-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Openeye Name: 1-[2-(benzothiophen-3-yl)heptyl]-3-(2,6-diisopropylphenyl)urea CAS Name: 1-[2-(1-benzothiophen-3-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea IUPAC Name: 1-[2-(1-benzothiophen-3-yl)heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Traditional Name: 1-[2-(benzothiophen-3-yl)heptyl]-3-(2,6-diisopropylphenyl)urea Formula: C28H38N2OS MolecularWeight: 450.67912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CNC(=O)NC1=C(C=CC=C1C(C)C)C(C)C)C2=CSC3=CC=CC=C32

Isomeric SMILES

CCCCCC(CNC(=O)NC1=C(C=CC=C1C(C)C)C(C)C)C2=CSC3=CC=CC=C32

InChI

InChI=1S/C28H38N2OS/c1-6-7-8-12-21(25-18-32-26-16-10-9-13-24(25)26)17-29-28(31)30-27-22(19(2)3)14-11-15-23(27)20(4)5/h9-11,13-16,18-21H,6-8,12,17H2,1-5H3,(H2,29,30,31)