methyl 6-[[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-[4-(1-piperidyl)phenyl]methyleneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[[4-(1-piperidinyl)phenyl]methylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-(4-piperidinobenzylidene)amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C20H30N4O2S MolecularWeight: 390.5428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NN=CC1=CC=C(C=C1)N2CCCCC2

Isomeric SMILES

COC(=O)CCCCCNC(=S)N/N=C\C1=CC=C(C=C1)N2CCCCC2

InChI

InChI=1S/C20H30N4O2S/c1-26-19(25)8-4-2-5-13-21-20(27)23-22-16-17-9-11-18(12-10-17)24-14-6-3-7-15-24/h9-12,16H,2-8,13-15H2,1H3,(H2,21,23,27)/b22-16-