1-cycloheptyl-1-[(4-thiophen-3-ylphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea

Systemtic Name: 1-cycloheptyl-1-[(4-thiophen-3-ylphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea Openeye Name: 1-cycloheptyl-1-[[4-(3-thienyl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea CAS Name: 1-cycloheptyl-1-[[4-(3-thiophenyl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea IUPAC Name: 1-cycloheptyl-1-[(4-thiophen-3-ylphenyl)methyl]-3-(2,4,6-trimethylphenyl)urea Traditional Name: 1-cycloheptyl-3-mesityl-1-[4-(3-thienyl)benzyl]urea Formula: C28H34N2OS MolecularWeight: 446.64736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)N(CC2=CC=C(C=C2)C3=CSC=C3)C4CCCCCC4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)N(CC2=CC=C(C=C2)C3=CSC=C3)C4CCCCCC4)C

InChI

InChI=1S/C28H34N2OS/c1-20-16-21(2)27(22(3)17-20)29-28(31)30(26-8-6-4-5-7-9-26)18-23-10-12-24(13-11-23)25-14-15-32-19-25/h10-17,19,26H,4-9,18H2,1-3H3,(H,29,31)