1-[[3-[(3-bromanylphenoxy)methyl]phenyl]carbonylamino]-3-(2,4-dimethoxyphenyl)thiourea

Systemtic Name: 1-[[3-[(3-bromanylphenoxy)methyl]phenyl]carbonylamino]-3-(2,4-dimethoxyphenyl)thiourea Openeye Name: 1-[[3-[(3-bromophenoxy)methyl]benzoyl]amino]-3-(2,4-dimethoxyphenyl)thiourea CAS Name: 1-[[[3-[(3-bromophenoxy)methyl]phenyl]-oxomethyl]amino]-3-(2,4-dimethoxyphenyl)thiourea IUPAC Name: 1-[[3-[(3-bromophenoxy)methyl]benzoyl]amino]-3-(2,4-dimethoxyphenyl)thiourea Traditional Name: 1-[[3-[(3-bromophenoxy)methyl]benzoyl]amino]-3-(2,4-dimethoxyphenyl)thiourea Formula: C23H22BrN3O4S MolecularWeight: 516.40748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)NNC(=O)C2=CC(=CC=C2)COC3=CC(=CC=C3)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)NNC(=O)C2=CC(=CC=C2)COC3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C23H22BrN3O4S/c1-29-18-9-10-20(21(13-18)30-2)25-23(32)27-26-22(28)16-6-3-5-15(11-16)14-31-19-8-4-7-17(24)12-19/h3-13H,14H2,1-2H3,(H,26,28)(H2,25,27,32)