methyl 6-[[(E)-(1-ethyl-2-oxidanylidene-indol-3-ylidene)amino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(E)-(1-ethyl-2-oxidanylidene-indol-3-ylidene)amino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(E)-(1-ethyl-2-oxo-indolin-3-ylidene)amino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2E)-2-(1-ethyl-2-oxo-3-indolylidene)hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(E)-(1-ethyl-2-oxoindol-3-ylidene)amino]carbamothioylamino]hexanoate Traditional Name: 6-[[(E)-(1-ethyl-2-keto-indolin-3-ylidene)amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=NNC(=S)NCCCCCC(=O)OC)C1=O

Isomeric SMILES

CCN1C2=CC=CC=C2/C(=N\NC(=S)NCCCCCC(=O)OC)/C1=O

InChI

InChI=1S/C18H24N4O3S/c1-3-22-14-10-7-6-9-13(14)16(17(22)24)20-21-18(26)19-12-8-4-5-11-15(23)25-2/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H2,19,21,26)/b20-16+