propyl 4-[(4-bromanyl-3-methoxy-naphthalen-2-yl)carbonylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[(4-bromanyl-3-methoxy-naphthalen-2-yl)carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(4-bromo-3-methoxy-naphthalene-2-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(4-bromo-3-methoxy-2-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(4-bromo-3-methoxynaphthalene-2-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-bromo-3-methoxy-2-naphthoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C23H21BrN2O4S MolecularWeight: 501.39284

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br

InChI

InChI=1S/C23H21BrN2O4S/c1-3-12-30-22(28)14-8-10-16(11-9-14)25-23(31)26-21(27)18-13-15-6-4-5-7-17(15)19(24)20(18)29-2/h4-11,13H,3,12H2,1-2H3,(H2,25,26,27,31)