methyl 6-[[(Z)-(2-chloranyl-5-nitro-phenyl)methylideneamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-(2-chloranyl-5-nitro-phenyl)methylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-(2-chloro-5-nitro-phenyl)methyleneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[(2-chloro-5-nitrophenyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-(2-chloro-5-nitro-benzylidene)amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C15H19ClN4O4S MolecularWeight: 386.85376

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NN=CC1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)CCCCCNC(=S)N/N=C\C1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H19ClN4O4S/c1-24-14(21)5-3-2-4-8-17-15(25)19-18-10-11-9-12(20(22)23)6-7-13(11)16/h6-7,9-10H,2-5,8H2,1H3,(H2,17,19,25)/b18-10-