methyl 6-[[(Z)-1-(4-methoxynaphthalen-1-yl)ethylideneamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-1-(4-methoxynaphthalen-1-yl)ethylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-1-(4-methoxy-1-naphthyl)ethylideneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[1-(4-methoxy-1-naphthalenyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-1-(4-methoxynaphthalen-1-yl)ethylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-1-(4-methoxy-1-naphthyl)ethylideneamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCCCCCC(=O)OC)C1=CC=C(C2=CC=CC=C21)OC

Isomeric SMILES

C/C(=N/NC(=S)NCCCCCC(=O)OC)/C1=CC=C(C2=CC=CC=C21)OC

InChI

InChI=1S/C21H27N3O3S/c1-15(16-12-13-19(26-2)18-10-7-6-9-17(16)18)23-24-21(28)22-14-8-4-5-11-20(25)27-3/h6-7,9-10,12-13H,4-5,8,11,14H2,1-3H3,(H2,22,24,28)/b23-15-