methyl 6-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbothioylamino]hexanoate

Systemtic Name: methyl 6-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]carbothioylamino]hexanoate Openeye Name: methyl 6-[(4-benzylsulfonylpiperazine-1-carbothioyl)amino]hexanoate CAS Name: 6-[[[4-(phenylmethyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-benzylsulfonylpiperazine-1-carbothioyl)amino]hexanoate Traditional Name: 6-[(4-benzylsulfonylpiperazine-1-carbothioyl)amino]hexanoic acid methyl ester Formula: C19H29N3O4S2 MolecularWeight: 427.58126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCCCNC(=S)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C19H29N3O4S2/c1-26-18(23)10-6-3-7-11-20-19(27)21-12-14-22(15-13-21)28(24,25)16-17-8-4-2-5-9-17/h2,4-5,8-9H,3,6-7,10-16H2,1H3,(H,20,27)