butyl 4-(pyridin-3-ylcarbonylcarbamothioylamino)benzoate

Systemtic Name: butyl 4-(pyridin-3-ylcarbonylcarbamothioylamino)benzoate Openeye Name: butyl 4-(pyridine-3-carbonylcarbamothioylamino)benzoate CAS Name: 4-[[[[oxo(3-pyridinyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-(pyridine-3-carbonylcarbamothioylamino)benzoate Traditional Name: 4-(nicotinoylthiocarbamoylamino)benzoic acid butyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CN=CC=C2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C18H19N3O3S/c1-2-3-11-24-17(23)13-6-8-15(9-7-13)20-18(25)21-16(22)14-5-4-10-19-12-14/h4-10,12H,2-3,11H2,1H3,(H2,20,21,22,25)