3-(4-bromanyl-3-methyl-phenyl)-1-(2,2-diethoxyethyl)-1-phenethyl-thiourea

Systemtic Name: 3-(4-bromanyl-3-methyl-phenyl)-1-(2,2-diethoxyethyl)-1-phenethyl-thiourea Openeye Name: 3-(4-bromo-3-methyl-phenyl)-1-(2,2-diethoxyethyl)-1-phenethyl-thiourea CAS Name: 3-(4-bromo-3-methylphenyl)-1-(2,2-diethoxyethyl)-1-phenethylthiourea IUPAC Name: 3-(4-bromo-3-methylphenyl)-1-(2,2-diethoxyethyl)-1-phenethylthiourea Traditional Name: 3-(4-bromo-3-methyl-phenyl)-1-(2,2-diethoxyethyl)-1-phenethyl-thiourea Formula: C22H29BrN2O2S MolecularWeight: 465.44686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CN(CCC1=CC=CC=C1)C(=S)NC2=CC(=C(C=C2)Br)C)OCC

Isomeric SMILES

CCOC(CN(CCC1=CC=CC=C1)C(=S)NC2=CC(=C(C=C2)Br)C)OCC

InChI

InChI=1S/C22H29BrN2O2S/c1-4-26-21(27-5-2)16-25(14-13-18-9-7-6-8-10-18)22(28)24-19-11-12-20(23)17(3)15-19/h6-12,15,21H,4-5,13-14,16H2,1-3H3,(H,24,28)