ethyl 4-[(1-benzothiophen-3-ylcarbonylamino)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(1-benzothiophen-3-ylcarbonylamino)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(benzothiophene-3-carbonylamino)carbamothioylamino]benzoate CAS Name: 4-[[[[1-benzothiophen-3-yl(oxo)methyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-benzothiophene-3-carbonylamino)carbamothioylamino]benzoate Traditional Name: 4-[(benzothiophene-3-carbonylamino)thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CSC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CSC3=CC=CC=C32

InChI

InChI=1S/C19H17N3O3S2/c1-2-25-18(24)12-7-9-13(10-8-12)20-19(26)22-21-17(23)15-11-27-16-6-4-3-5-14(15)16/h3-11H,2H2,1H3,(H,21,23)(H2,20,22,26)