methyl 6-[[4-(2-ethoxyphenyl)piperazin-1-yl]carbothioylamino]hexanoate

Systemtic Name: methyl 6-[[4-(2-ethoxyphenyl)piperazin-1-yl]carbothioylamino]hexanoate Openeye Name: methyl 6-[[4-(2-ethoxyphenyl)piperazine-1-carbothioyl]amino]hexanoate CAS Name: 6-[[[4-(2-ethoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(2-ethoxyphenyl)piperazine-1-carbothioyl]amino]hexanoate Traditional Name: 6-[(4-o-phenetylpiperazine-1-carbothioyl)amino]hexanoic acid methyl ester Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NCCCCCC(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C20H31N3O3S/c1-3-26-18-10-7-6-9-17(18)22-13-15-23(16-14-22)20(27)21-12-8-4-5-11-19(24)25-2/h6-7,9-10H,3-5,8,11-16H2,1-2H3,(H,21,27)