methyl 6-[[(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(3,5-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(4-keto-3,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)methylamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CNNC(=S)NCCCCCC(=O)OC)C=C(C1=O)C

Isomeric SMILES

CC1=CC(=CNNC(=S)NCCCCCC(=O)OC)C=C(C1=O)C

InChI

InChI=1S/C17H25N3O3S/c1-12-9-14(10-13(2)16(12)22)11-19-20-17(24)18-8-6-4-5-7-15(21)23-3/h9-11,19H,4-8H2,1-3H3,(H2,18,20,24)