2-[2-(2-azanylethanoyl)-1-(4-carbamothioylphenyl)carbonyl-piperidin-4-yl]oxyethanoate

Systemtic Name: 2-[2-(2-azanylethanoyl)-1-(4-carbamothioylphenyl)carbonyl-piperidin-4-yl]oxyethanoate Openeye Name: 2-[[2-(2-aminoacetyl)-1-(4-carbamothioylbenzoyl)-4-piperidyl]oxy]acetate CAS Name: 2-[[2-(2-amino-1-oxoethyl)-1-[(4-carbamothioylphenyl)-oxomethyl]-4-piperidinyl]oxy]acetate IUPAC Name: 2-[2-(2-aminoacetyl)-1-(4-carbamothioylbenzoyl)piperidin-4-yl]oxyacetate Traditional Name: 2-[[2-glycyl-1-(4-thiocarbamoylbenzoyl)-4-piperidyl]oxy]acetate Formula: C17H20N3O5S- MolecularWeight: 378.4228

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1OCC(=O)[O-])C(=O)CN)C(=O)C2=CC=C(C=C2)C(=S)N

Isomeric SMILES

C1CN(C(CC1OCC(=O)[O-])C(=O)CN)C(=O)C2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C17H21N3O5S/c18-8-14(21)13-7-12(25-9-15(22)23)5-6-20(13)17(24)11-3-1-10(2-4-11)16(19)26/h1-4,12-13H,5-9,18H2,(H2,19,26)(H,22,23)/p-1