methyl 6-[[(Z)-1-phenylethylideneamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-1-phenylethylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-1-phenylethylideneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-(1-phenylethylidene)hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-1-phenylethylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-1-phenylethylideneamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=N/NC(=S)NCCCCCC(=O)OC)/C1=CC=CC=C1

InChI

InChI=1S/C16H23N3O2S/c1-13(14-9-5-3-6-10-14)18-19-16(22)17-12-8-4-7-11-15(20)21-2/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3,(H2,17,19,22)/b18-13-