2-[4-(2-azanyl-1-phenyl-1-piperazin-1-yl-2-sulfanylidene-ethyl)piperidin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(2-azanyl-1-phenyl-1-piperazin-1-yl-2-sulfanylidene-ethyl)piperidin-1-yl]ethanoic acid Openeye Name: 2-[4-(2-amino-1-phenyl-1-piperazin-1-yl-2-thioxo-ethyl)-1-piperidyl]acetic acid CAS Name: 2-[4-[2-amino-1-phenyl-1-(1-piperazinyl)-2-sulfanylideneethyl]-1-piperidinyl]acetic acid IUPAC Name: 2-[4-(2-amino-1-phenyl-1-piperazin-1-yl-2-sulfanylideneethyl)piperidin-1-yl]acetic acid Traditional Name: 2-[4-(2-amino-1-phenyl-1-piperazino-2-thioxo-ethyl)piperidino]acetic acid Formula: C19H28N4O2S MolecularWeight: 376.51622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(C2=CC=CC=C2)(C(=S)N)N3CCNCC3)CC(=O)O

Isomeric SMILES

C1CN(CCC1C(C2=CC=CC=C2)(C(=S)N)N3CCNCC3)CC(=O)O

InChI

InChI=1S/C19H28N4O2S/c20-18(26)19(15-4-2-1-3-5-15,23-12-8-21-9-13-23)16-6-10-22(11-7-16)14-17(24)25/h1-5,16,21H,6-14H2,(H2,20,26)(H,24,25)