methyl 6-[[(Z)-quinoxalin-2-ylmethylideneamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-quinoxalin-2-ylmethylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-quinoxalin-2-ylmethyleneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-(2-quinoxalinylmethylidene)hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-quinoxalin-2-ylmethylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-quinoxalin-2-ylmethyleneamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NN=CC1=NC2=CC=CC=C2N=C1

Isomeric SMILES

COC(=O)CCCCCNC(=S)N/N=C\C1=NC2=CC=CC=C2N=C1

InChI

InChI=1S/C17H21N5O2S/c1-24-16(23)9-3-2-6-10-18-17(25)22-20-12-13-11-19-14-7-4-5-8-15(14)21-13/h4-5,7-8,11-12H,2-3,6,9-10H2,1H3,(H2,18,22,25)/b20-12-