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

Systemtic Name: ethyl 4-[[cyclopentyl(pyridin-4-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[cyclopentyl(4-pyridylmethyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[cyclopentyl(pyridin-4-ylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[cyclopentyl(pyridin-4-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[cyclopentyl(4-pyridylmethyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CC=NC=C2)C3CCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CC=NC=C2)C3CCCC3

InChI

InChI=1S/C21H25N3O2S/c1-2-26-20(25)17-7-9-18(10-8-17)23-21(27)24(19-5-3-4-6-19)15-16-11-13-22-14-12-16/h7-14,19H,2-6,15H2,1H3,(H,23,27)