ethyl 4-[[propan-2-yl(2-pyridin-4-ylethyl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[propan-2-yl(2-pyridin-4-ylethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[isopropyl-[2-(4-pyridyl)ethyl]carbamothioyl]amino]benzoate CAS Name: 4-[[[propan-2-yl(2-pyridin-4-ylethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[propan-2-yl(2-pyridin-4-ylethyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[isopropyl-[2-(4-pyridyl)ethyl]thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCC2=CC=NC=C2)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCC2=CC=NC=C2)C(C)C

InChI

InChI=1S/C20H25N3O2S/c1-4-25-19(24)17-5-7-18(8-6-17)22-20(26)23(15(2)3)14-11-16-9-12-21-13-10-16/h5-10,12-13,15H,4,11,14H2,1-3H3,(H,22,26)