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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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