methyl 6-[[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethylamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)ethylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylamino]carbamothioylamino]hexanoate CAS Name: 6-[[[1-(4-oxo-1-cyclohexa-2,5-dienylidene)ethylhydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[1-(4-oxocyclohexa-2,5-dien-1-ylidene)ethylamino]carbamothioylamino]hexanoate Traditional Name: 6-[[1-(4-ketocyclohexa-2,5-dien-1-ylidene)ethylamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=CC(=O)C=C1)NNC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC(=C1C=CC(=O)C=C1)NNC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C16H23N3O3S/c1-12(13-7-9-14(20)10-8-13)18-19-16(23)17-11-5-3-4-6-15(21)22-2/h7-10,18H,3-6,11H2,1-2H3,(H2,17,19,23)