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

Systemtic Name: methyl 2-[(4-bromanyl-3-methoxy-naphthalen-2-yl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 2-[(4-bromo-3-methoxy-naphthalene-2-carbonyl)carbamothioylamino]benzoate CAS Name: 2-[[[[(4-bromo-3-methoxy-2-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-3-methoxynaphthalene-2-carbonyl)carbamothioylamino]benzoate Traditional Name: 2-[(4-bromo-3-methoxy-2-naphthoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C21H17BrN2O4S MolecularWeight: 473.33968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC=CC=C3C(=O)OC)Br

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC=CC=C3C(=O)OC)Br

InChI

InChI=1S/C21H17BrN2O4S/c1-27-18-15(11-12-7-3-4-8-13(12)17(18)22)19(25)24-21(29)23-16-10-6-5-9-14(16)20(26)28-2/h3-11H,1-2H3,(H2,23,24,25,29)