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

Systemtic Name: ethyl 4-[[(2-methylfuran-3-yl)carbonylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(2-methylfuran-3-carbonyl)amino]carbamothioylamino]benzoate CAS Name: 4-[[[[(2-methyl-3-furanyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2-methylfuran-3-carbonyl)amino]carbamothioylamino]benzoate Traditional Name: 4-[[(2-methyl-3-furoyl)amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(OC=C2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(OC=C2)C

InChI

InChI=1S/C16H17N3O4S/c1-3-22-15(21)11-4-6-12(7-5-11)17-16(24)19-18-14(20)13-8-9-23-10(13)2/h4-9H,3H2,1-2H3,(H,18,20)(H2,17,19,24)