methyl 6-[(1,3-dihydroinden-2-ylideneamino)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(1,3-dihydroinden-2-ylideneamino)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(indan-2-ylideneamino)carbamothioylamino]hexanoate CAS Name: 6-[[[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(1,3-dihydroinden-2-ylideneamino)carbamothioylamino]hexanoate Traditional Name: 6-[(indan-2-ylideneamino)thiocarbamoylamino]hexanoic acid methyl ester Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NN=C1CC2=CC=CC=C2C1

Isomeric SMILES

COC(=O)CCCCCNC(=S)NN=C1CC2=CC=CC=C2C1

InChI

InChI=1S/C17H23N3O2S/c1-22-16(21)9-3-2-6-10-18-17(23)20-19-15-11-13-7-4-5-8-14(13)12-15/h4-5,7-8H,2-3,6,9-12H2,1H3,(H2,18,20,23)