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

Systemtic Name: ethyl 4-[(1H-indol-3-ylcarbonylamino)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(1H-indole-3-carbonylamino)carbamothioylamino]benzoate CAS Name: 4-[[[[1H-indol-3-yl(oxo)methyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1H-indole-3-carbonylamino)carbamothioylamino]benzoate Traditional Name: 4-[(1H-indole-3-carbonylamino)thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CNC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C19H18N4O3S/c1-2-26-18(25)12-7-9-13(10-8-12)21-19(27)23-22-17(24)15-11-20-16-6-4-3-5-14(15)16/h3-11,20H,2H2,1H3,(H,22,24)(H2,21,23,27)