ethyl 4-[[(3-methyl-1-benzofuran-2-yl)carbonylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(3-methyl-1-benzofuran-2-yl)carbonylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(3-methylbenzofuran-2-carbonyl)amino]carbamothioylamino]benzoate CAS Name: 4-[[[[(3-methyl-2-benzofuranyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamothioylamino]benzoate Traditional Name: 4-[[(3-methylbenzofuran-2-carbonyl)amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3O2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(C3=CC=CC=C3O2)C

InChI

InChI=1S/C20H19N3O4S/c1-3-26-19(25)13-8-10-14(11-9-13)21-20(28)23-22-18(24)17-12(2)15-6-4-5-7-16(15)27-17/h4-11H,3H2,1-2H3,(H,22,24)(H2,21,23,28)