2-[4-[(4-piperazin-1-ylphenyl)amino]sulfanylcarbonylpiperidin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[(4-piperazin-1-ylphenyl)amino]sulfanylcarbonylpiperidin-1-yl]ethanoic acid Openeye Name: 2-[4-(4-piperazin-1-ylanilino)sulfanylcarbonyl-1-piperidyl]acetic acid CAS Name: 2-[4-[oxo-[[4-(1-piperazinyl)anilino]thio]methyl]-1-piperidinyl]acetic acid IUPAC Name: 2-[4-(4-piperazin-1-ylanilino)sulfanylcarbonylpiperidin-1-yl]acetic acid Traditional Name: 2-[4-[(4-piperazinoanilino)thio]carbonylpiperidino]acetic acid Formula: C18H26N4O3S MolecularWeight: 378.48904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)SNC2=CC=C(C=C2)N3CCNCC3)CC(=O)O

Isomeric SMILES

C1CN(CCC1C(=O)SNC2=CC=C(C=C2)N3CCNCC3)CC(=O)O

InChI

InChI=1S/C18H26N4O3S/c23-17(24)13-21-9-5-14(6-10-21)18(25)26-20-15-1-3-16(4-2-15)22-11-7-19-8-12-22/h1-4,14,19-20H,5-13H2,(H,23,24)