ethyl 4-[[cyclopropyl(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[cyclopropyl(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[cyclopropyl(3-pyridylmethyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[cyclopropyl(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[cyclopropyl(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[cyclopropyl(3-pyridylmethyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CN=CC=C2)C3CC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CN=CC=C2)C3CC3

InChI

InChI=1S/C19H21N3O2S/c1-2-24-18(23)15-5-7-16(8-6-15)21-19(25)22(17-9-10-17)13-14-4-3-11-20-12-14/h3-8,11-12,17H,2,9-10,13H2,1H3,(H,21,25)