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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C19H29N3O4S2/c1-16-7-9-17(10-8-16)28(24,25)22-14-12-21(13-15-22)19(27)20-11-5-3-4-6-18(23)26-2/h7-10H,3-6,11-15H2,1-2H3,(H,20,27)