methyl 4-[[(2-oxidanylideneindol-3-yl)amino]carbamothioylamino]benzoate

Systemtic Name: methyl 4-[[(2-oxidanylideneindol-3-yl)amino]carbamothioylamino]benzoate Openeye Name: methyl 4-[[(2-oxoindol-3-yl)amino]carbamothioylamino]benzoate CAS Name: 4-[[[(2-oxo-3-indolyl)hydrazo]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-oxoindol-3-yl)amino]carbamothioylamino]benzoate Traditional Name: 4-[[(2-ketoindol-3-yl)amino]thiocarbamoylamino]benzoic acid methyl ester Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NNC2=C3C=CC=CC3=NC2=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NNC2=C3C=CC=CC3=NC2=O

InChI

InChI=1S/C17H14N4O3S/c1-24-16(23)10-6-8-11(9-7-10)18-17(25)21-20-14-12-4-2-3-5-13(12)19-15(14)22/h2-9H,1H3,(H2,18,21,25)(H,19,20,22)