2-diethylaminoethyl 4-(pyridin-3-ylcarbonylcarbamothioylamino)benzoate

Systemtic Name: 2-diethylaminoethyl 4-(pyridin-3-ylcarbonylcarbamothioylamino)benzoate Openeye Name: 2-diethylaminoethyl 4-(pyridine-3-carbonylcarbamothioylamino)benzoate CAS Name: 4-[[[[oxo(3-pyridinyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-(pyridine-3-carbonylcarbamothioylamino)benzoate Traditional Name: 4-(nicotinoylthiocarbamoylamino)benzoic acid 2-diethylaminoethyl ester Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3S/c1-3-24(4-2)12-13-27-19(26)15-7-9-17(10-8-15)22-20(28)23-18(25)16-6-5-11-21-14-16/h5-11,14H,3-4,12-13H2,1-2H3,(H2,22,23,25,28)