ethyl 4-[[3,5-bis(bromanyl)-2-methoxy-phenyl]carbonylcarbamothioyl-(pyridin-4-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[[3,5-bis(bromanyl)-2-methoxy-phenyl]carbonylcarbamothioyl-(pyridin-4-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[(3,5-dibromo-2-methoxy-benzoyl)carbamothioyl-(4-pyridylmethyl)amino]benzoate CAS Name: 4-[[[[(3,5-dibromo-2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-(pyridin-4-ylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3,5-dibromo-2-methoxybenzoyl)carbamothioyl-(pyridin-4-ylmethyl)amino]benzoate Traditional Name: 4-[(3,5-dibromo-2-methoxy-benzoyl)thiocarbamoyl-(4-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C24H21Br2N3O4S MolecularWeight: 607.31424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC=NC=C2)C(=S)NC(=O)C3=CC(=CC(=C3OC)Br)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC=NC=C2)C(=S)NC(=O)C3=CC(=CC(=C3OC)Br)Br

InChI

InChI=1S/C24H21Br2N3O4S/c1-3-33-23(31)16-4-6-18(7-5-16)29(14-15-8-10-27-11-9-15)24(34)28-22(30)19-12-17(25)13-20(26)21(19)32-2/h4-13H,3,14H2,1-2H3,(H,28,30,34)