ethyl 3-[[2-cyanoethyl(oxolan-2-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 3-[[2-cyanoethyl(oxolan-2-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 3-[[2-cyanoethyl(tetrahydrofuran-2-ylmethyl)carbamothioyl]amino]benzoate CAS Name: 3-[[[2-cyanoethyl(2-oxolanylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-cyanoethyl(oxolan-2-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 3-[[2-cyanoethyl(tetrahydrofurfuryl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)N(CCC#N)CC2CCCO2

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)N(CCC#N)CC2CCCO2

InChI

InChI=1S/C18H23N3O3S/c1-2-23-17(22)14-6-3-7-15(12-14)20-18(25)21(10-5-9-19)13-16-8-4-11-24-16/h3,6-7,12,16H,2,4-5,8,10-11,13H2,1H3,(H,20,25)