dimethyl 2-[[(E)-1-quinoxalin-2-ylethylideneamino]carbamothioylamino]pentanedioate

Systemtic Name: dimethyl 2-[[(E)-1-quinoxalin-2-ylethylideneamino]carbamothioylamino]pentanedioate Openeye Name: dimethyl 2-[[(E)-1-quinoxalin-2-ylethylideneamino]carbamothioylamino]pentanedioate CAS Name: 2-[[[(2E)-2-[1-(2-quinoxalinyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[(E)-1-quinoxalin-2-ylethylideneamino]carbamothioylamino]pentanedioate Traditional Name: 2-[[(E)-1-quinoxalin-2-ylethylideneamino]thiocarbamoylamino]glutaric acid dimethyl ester Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC(CCC(=O)OC)C(=O)OC)C1=NC2=CC=CC=C2N=C1

Isomeric SMILES

C/C(=N\NC(=S)NC(CCC(=O)OC)C(=O)OC)/C1=NC2=CC=CC=C2N=C1

InChI

InChI=1S/C18H21N5O4S/c1-11(15-10-19-12-6-4-5-7-13(12)20-15)22-23-18(28)21-14(17(25)27-3)8-9-16(24)26-2/h4-7,10,14H,8-9H2,1-3H3,(H2,21,23,28)/b22-11+