methyl 6-[[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-[5-(4-nitrophenyl)-2-furyl]methyleneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[[5-(4-nitrophenyl)-2-furanyl]methylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-[5-(4-nitrophenyl)-2-furyl]methyleneamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NN=CC1=CC=C(O1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCCCNC(=S)N/N=C\C1=CC=C(O1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O5S/c1-27-18(24)5-3-2-4-12-20-19(29)22-21-13-16-10-11-17(28-16)14-6-8-15(9-7-14)23(25)26/h6-11,13H,2-5,12H2,1H3,(H2,20,22,29)/b21-13-