ethyl 4-[[furan-2-ylmethyl(3-piperidin-1-ylpropyl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[furan-2-ylmethyl(3-piperidin-1-ylpropyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[2-furylmethyl-[3-(1-piperidyl)propyl]carbamothioyl]amino]benzoate CAS Name: 4-[[[2-furanylmethyl-[3-(1-piperidinyl)propyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[furan-2-ylmethyl(3-piperidin-1-ylpropyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[2-furfuryl(3-piperidinopropyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN2CCCCC2)CC3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN2CCCCC2)CC3=CC=CO3

InChI

InChI=1S/C23H31N3O3S/c1-2-28-22(27)19-9-11-20(12-10-19)24-23(30)26(18-21-8-6-17-29-21)16-7-15-25-13-4-3-5-14-25/h6,8-12,17H,2-5,7,13-16,18H2,1H3,(H,24,30)