methyl 6-[[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C15H20BrN3O3S MolecularWeight: 402.3066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NNC=C1C=C(C=CC1=O)Br

Isomeric SMILES

COC(=O)CCCCCNC(=S)NNC=C1C=C(C=CC1=O)Br

InChI

InChI=1S/C15H20BrN3O3S/c1-22-14(21)5-3-2-4-8-17-15(23)19-18-10-11-9-12(16)6-7-13(11)20/h6-7,9-10,18H,2-5,8H2,1H3,(H2,17,19,23)