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

Systemtic Name: methyl 6-[[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NNC=C1C=CC(=O)C=C1

Isomeric SMILES

COC(=O)CCCCCNC(=S)NNC=C1C=CC(=O)C=C1

InChI

InChI=1S/C15H21N3O3S/c1-21-14(20)5-3-2-4-10-16-15(22)18-17-11-12-6-8-13(19)9-7-12/h6-9,11,17H,2-5,10H2,1H3,(H2,16,18,22)