methyl 6-[[(Z)-(2-oxidanylideneacenaphthylen-1-ylidene)amino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-(2-oxidanylideneacenaphthylen-1-ylidene)amino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-(2-oxo-1-acenaphthylenylidene)hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-(2-ketoacenaphthen-1-ylidene)amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NN=C1C2=CC=CC3=C2C(=CC=C3)C1=O

Isomeric SMILES

COC(=O)CCCCCNC(=S)N/N=C\1/C2=CC=CC3=C2C(=CC=C3)C1=O

InChI

InChI=1S/C20H21N3O3S/c1-26-16(24)11-3-2-4-12-21-20(27)23-22-18-14-9-5-7-13-8-6-10-15(17(13)14)19(18)25/h5-10H,2-4,11-12H2,1H3,(H2,21,23,27)/b22-18-