ethyl 4-[[(Z)-(2-oxidanylideneacenaphthylen-1-ylidene)amino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(Z)-(2-oxidanylideneacenaphthylen-1-ylidene)amino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]carbamothioylamino]benzoate CAS Name: 4-[[[(2Z)-2-(2-oxo-1-acenaphthylenylidene)hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]carbamothioylamino]benzoate Traditional Name: 4-[[(Z)-(2-ketoacenaphthen-1-ylidene)amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NN=C2C3=CC=CC4=C3C(=CC=C4)C2=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N/N=C\2/C3=CC=CC4=C3C(=CC=C4)C2=O

InChI

InChI=1S/C22H17N3O3S/c1-2-28-21(27)14-9-11-15(12-10-14)23-22(29)25-24-19-16-7-3-5-13-6-4-8-17(18(13)16)20(19)26/h3-12H,2H2,1H3,(H2,23,25,29)/b24-19-