4-[2-[1-(2-piperidin-1-ylphenyl)butylamino]-2-sulfanylidene-ethyl]benzoic acid

Systemtic Name: 4-[2-[1-(2-piperidin-1-ylphenyl)butylamino]-2-sulfanylidene-ethyl]benzoic acid Openeye Name: 4-[2-[1-[2-(1-piperidyl)phenyl]butylamino]-2-thioxo-ethyl]benzoic acid CAS Name: 4-[2-[1-[2-(1-piperidinyl)phenyl]butylamino]-2-sulfanylideneethyl]benzoic acid IUPAC Name: 4-[2-[1-(2-piperidin-1-ylphenyl)butylamino]-2-sulfanylideneethyl]benzoic acid Traditional Name: 4-[2-[1-(2-piperidinophenyl)butylamino]-2-thioxo-ethyl]benzoic acid Formula: C24H30N2O2S MolecularWeight: 410.5722

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1N2CCCCC2)NC(=S)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCC(C1=CC=CC=C1N2CCCCC2)NC(=S)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H30N2O2S/c1-2-8-21(20-9-4-5-10-22(20)26-15-6-3-7-16-26)25-23(29)17-18-11-13-19(14-12-18)24(27)28/h4-5,9-14,21H,2-3,6-8,15-17H2,1H3,(H,25,29)(H,27,28)