ethyl 4-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(5-bromo-1-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]benzoate Traditional Name: 4-[(5-bromo-1-naphthoyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H17BrN2O3S MolecularWeight: 457.34028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br

InChI

InChI=1S/C21H17BrN2O3S/c1-2-27-20(26)13-9-11-14(12-10-13)23-21(28)24-19(25)17-7-3-6-16-15(17)5-4-8-18(16)22/h3-12H,2H2,1H3,(H2,23,24,25,28)