methyl 4-(pyridin-3-ylcarbothioylcarbamoylamino)benzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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