methyl 4-(pyridin-3-ylcarbonylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(pyridin-3-ylcarbonylcarbamothioylamino)benzoate Openeye Name: methyl 4-(pyridine-3-carbonylcarbamothioylamino)benzoate CAS Name: 4-[[[[oxo(3-pyridinyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(pyridine-3-carbonylcarbamothioylamino)benzoate Traditional Name: 4-(nicotinoylthiocarbamoylamino)benzoic acid methyl ester Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O3S/c1-21-14(20)10-4-6-12(7-5-10)17-15(22)18-13(19)11-3-2-8-16-9-11/h2-9H,1H3,(H2,17,18,19,22)