ethyl 4-[[[(5-bromanyl-1-benzofuran-2-yl)-phenyl-methyl]amino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[[(5-bromanyl-1-benzofuran-2-yl)-phenyl-methyl]amino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[[(5-bromobenzofuran-2-yl)-phenyl-methyl]amino]carbamothioylamino]benzoate CAS Name: 4-[[[[(5-bromo-2-benzofuranyl)-phenylmethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[(5-bromo-1-benzofuran-2-yl)-phenylmethyl]amino]carbamothioylamino]benzoate Traditional Name: 4-[[[(5-bromobenzofuran-2-yl)-phenyl-methyl]amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C25H22BrN3O3S MolecularWeight: 524.42948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(C2=CC=CC=C2)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(C2=CC=CC=C2)C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C25H22BrN3O3S/c1-2-31-24(30)17-8-11-20(12-9-17)27-25(33)29-28-23(16-6-4-3-5-7-16)22-15-18-14-19(26)10-13-21(18)32-22/h3-15,23,28H,2H2,1H3,(H2,27,29,33)