methyl 6-[[[1-(phenylmethyl)piperidin-4-ylidene]amino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[[1-(phenylmethyl)piperidin-4-ylidene]amino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(1-benzyl-4-piperidylidene)amino]carbamothioylamino]hexanoate CAS Name: 6-[[[2-[1-(phenylmethyl)-4-piperidinylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(1-benzylpiperidin-4-ylidene)amino]carbamothioylamino]hexanoate Traditional Name: 6-[[(1-benzyl-4-piperidylidene)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=C1CCN(CC1)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCCCNC(=S)NN=C1CCN(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C20H30N4O2S/c1-26-19(25)10-6-3-7-13-21-20(27)23-22-18-11-14-24(15-12-18)16-17-8-4-2-5-9-17/h2,4-5,8-9H,3,6-7,10-16H2,1H3,(H2,21,23,27)