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

Systemtic Name: methyl 6-[[4-(phenylcarbamoyl)piperazin-1-yl]carbothioylamino]hexanoate Openeye Name: methyl 6-[[4-(phenylcarbamoyl)piperazine-1-carbothioyl]amino]hexanoate CAS Name: 6-[[[4-[anilino(oxo)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(phenylcarbamoyl)piperazine-1-carbothioyl]amino]hexanoate Traditional Name: 6-[[4-(phenylcarbamoyl)piperazine-1-carbothioyl]amino]hexanoic acid methyl ester Formula: C19H28N4O3S MolecularWeight: 392.51562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)N1CCN(CC1)C(=O)NC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCCCNC(=S)N1CCN(CC1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C19H28N4O3S/c1-26-17(24)10-6-3-7-11-20-19(27)23-14-12-22(13-15-23)18(25)21-16-8-4-2-5-9-16/h2,4-5,8-9H,3,6-7,10-15H2,1H3,(H,20,27)(H,21,25)