ethyl 4-[(6-pyrrolidin-1-ylpyridin-3-yl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(6-pyrrolidin-1-ylpyridin-3-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(6-pyrrolidin-1-yl-3-pyridyl)carbamothioylamino]benzoate CAS Name: 4-[[[[6-(1-pyrrolidinyl)-3-pyridinyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6-pyrrolidin-1-ylpyridin-3-yl)carbamothioylamino]benzoate Traditional Name: 4-[(6-pyrrolidino-3-pyridyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H22N4O2S MolecularWeight: 370.46858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CN=C(C=C2)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CN=C(C=C2)N3CCCC3

InChI

InChI=1S/C19H22N4O2S/c1-2-25-18(24)14-5-7-15(8-6-14)21-19(26)22-16-9-10-17(20-13-16)23-11-3-4-12-23/h5-10,13H,2-4,11-12H2,1H3,(H2,21,22,26)