methyl 6-[[(2-oxidanylideneindol-3-yl)amino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(2-oxidanylideneindol-3-yl)amino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(2-oxoindol-3-yl)amino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2-oxo-3-indolyl)hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(2-oxoindol-3-yl)amino]carbamothioylamino]hexanoate Traditional Name: 6-[[(2-ketoindol-3-yl)amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NNC1=C2C=CC=CC2=NC1=O

Isomeric SMILES

COC(=O)CCCCCNC(=S)NNC1=C2C=CC=CC2=NC1=O

InChI

InChI=1S/C16H20N4O3S/c1-23-13(21)9-3-2-6-10-17-16(24)20-19-14-11-7-4-5-8-12(11)18-15(14)22/h4-5,7-8H,2-3,6,9-10H2,1H3,(H2,17,20,24)(H,18,19,22)