ethyl 4-[(4-bromanyl-2-ethyl-phenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-bromanyl-2-ethyl-phenyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(4-bromo-2-ethyl-phenyl)carbamothioylamino]benzoate CAS Name: 4-[[(4-bromo-2-ethylanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-bromo-2-ethylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-bromo-2-ethyl-phenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H19BrN2O2S MolecularWeight: 407.32466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)NC(=S)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C18H19BrN2O2S/c1-3-12-11-14(19)7-10-16(12)21-18(24)20-15-8-5-13(6-9-15)17(22)23-4-2/h5-11H,3-4H2,1-2H3,(H2,20,21,24)