ethyl 4-[[(3-oxidanylnaphthalen-2-yl)carbonylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(3-oxidanylnaphthalen-2-yl)carbonylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamothioylamino]benzoate CAS Name: 4-[[[[(3-hydroxy-2-naphthalenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamothioylamino]benzoate Traditional Name: 4-[[(3-hydroxy-2-naphthoyl)amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC3=CC=CC=C3C=C2O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC3=CC=CC=C3C=C2O

InChI

InChI=1S/C21H19N3O4S/c1-2-28-20(27)13-7-9-16(10-8-13)22-21(29)24-23-19(26)17-11-14-5-3-4-6-15(14)12-18(17)25/h3-12,25H,2H2,1H3,(H,23,26)(H2,22,24,29)