propan-2-yl 4-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: propan-2-yl 4-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: isopropyl 4-[(3-bromo-4-methoxy-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-bromo-4-methoxy-benzoyl)thiocarbamoylamino]benzoic acid isopropyl ester Formula: C19H19BrN2O4S MolecularWeight: 451.33416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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