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

Systemtic Name: methyl 6-[[4-(4-ethanoylphenyl)piperazin-1-yl]carbothioylamino]hexanoate Openeye Name: methyl 6-[[4-(4-acetylphenyl)piperazine-1-carbothioyl]amino]hexanoate CAS Name: 6-[[[4-(4-acetylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(4-acetylphenyl)piperazine-1-carbothioyl]amino]hexanoate Traditional Name: 6-[[4-(4-acetylphenyl)piperazine-1-carbothioyl]amino]hexanoic acid methyl ester Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O3S/c1-16(24)17-7-9-18(10-8-17)22-12-14-23(15-13-22)20(27)21-11-5-3-4-6-19(25)26-2/h7-10H,3-6,11-15H2,1-2H3,(H,21,27)