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

Systemtic Name: ethyl 4-[[furan-2-ylmethyl(2-piperidin-1-ylethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[2-furylmethyl-[2-(1-piperidyl)ethyl]carbamothioyl]amino]benzoate CAS Name: 4-[[[2-furanylmethyl-[2-(1-piperidinyl)ethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[furan-2-ylmethyl(2-piperidin-1-ylethyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[2-furfuryl(2-piperidinoethyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCN2CCCCC2)CC3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCN2CCCCC2)CC3=CC=CO3

InChI

InChI=1S/C22H29N3O3S/c1-2-27-21(26)18-8-10-19(11-9-18)23-22(29)25(17-20-7-6-16-28-20)15-14-24-12-4-3-5-13-24/h6-11,16H,2-5,12-15,17H2,1H3,(H,23,29)