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

Systemtic Name: ethyl 4-[2-[1-(2-piperidin-1-ylphenyl)butylamino]-2-sulfanylidene-ethyl]benzoate Openeye Name: ethyl 4-[2-[1-[2-(1-piperidyl)phenyl]butylamino]-2-thioxo-ethyl]benzoate CAS Name: 4-[2-[1-[2-(1-piperidinyl)phenyl]butylamino]-2-sulfanylideneethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-(2-piperidin-1-ylphenyl)butylamino]-2-sulfanylideneethyl]benzoate Traditional Name: 4-[2-[1-(2-piperidinophenyl)butylamino]-2-thioxo-ethyl]benzoic acid ethyl ester Formula: C26H34N2O2S MolecularWeight: 438.62536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O2S/c1-3-10-23(22-11-6-7-12-24(22)28-17-8-5-9-18-28)27-25(31)19-20-13-15-21(16-14-20)26(29)30-4-2/h6-7,11-16,23H,3-5,8-10,17-19H2,1-2H3,(H,27,31)