propyl 4-[(5-bromanyl-2-methoxy-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[(5-bromanyl-2-methoxy-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(5-bromo-2-methoxy-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(5-bromo-2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(5-bromo-2-methoxy-benzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C19H19BrN2O4S MolecularWeight: 451.33416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C19H19BrN2O4S/c1-3-10-26-18(24)12-4-7-14(8-5-12)21-19(27)22-17(23)15-11-13(20)6-9-16(15)25-2/h4-9,11H,3,10H2,1-2H3,(H2,21,22,23,27)