methyl 6-[[(Z)-[(2S)-2-methylcyclohexylidene]amino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-[(2S)-2-methylcyclohexylidene]amino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-[(2S)-2-methylcyclohexylidene]amino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[(2S)-2-methylcyclohexylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-[(2S)-2-methylcyclohexylidene]amino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-[(2S)-2-methylcyclohexylidene]amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C15H27N3O2S MolecularWeight: 313.45878

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1=NNC(=S)NCCCCCC(=O)OC

Isomeric SMILES

C[C@H]\1CCCC/C1=N/NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C15H27N3O2S/c1-12-8-5-6-9-13(12)17-18-15(21)16-11-7-3-4-10-14(19)20-2/h12H,3-11H2,1-2H3,(H2,16,18,21)/b17-13-/t12-/m0/s1