methyl 4-[[2-cyanoethyl(3-ethoxypropyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 4-[[2-cyanoethyl(3-ethoxypropyl)carbamothioyl]amino]benzoate Openeye Name: methyl 4-[[2-cyanoethyl(3-ethoxypropyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[2-cyanoethyl(3-ethoxypropyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-cyanoethyl(3-ethoxypropyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[2-cyanoethyl(3-ethoxypropyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN(CCC#N)C(=S)NC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCOCCCN(CCC#N)C(=S)NC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C17H23N3O3S/c1-3-23-13-5-12-20(11-4-10-18)17(24)19-15-8-6-14(7-9-15)16(21)22-2/h6-9H,3-5,11-13H2,1-2H3,(H,19,24)