methyl 2-[4-(pyridin-3-ylcarbamothioylamino)phenyl]ethanoate

Systemtic Name: methyl 2-[4-(pyridin-3-ylcarbamothioylamino)phenyl]ethanoate Openeye Name: methyl 2-[4-(3-pyridylcarbamothioylamino)phenyl]acetate CAS Name: 2-[4-[[(3-pyridinylamino)-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(pyridin-3-ylcarbamothioylamino)phenyl]acetate Traditional Name: 2-[4-(3-pyridylthiocarbamoylamino)phenyl]acetic acid methyl ester Formula: C15H15N3O2S MolecularWeight: 301.3635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)NC(=S)NC2=CN=CC=C2

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)NC(=S)NC2=CN=CC=C2

InChI

InChI=1S/C15H15N3O2S/c1-20-14(19)9-11-4-6-12(7-5-11)17-15(21)18-13-3-2-8-16-10-13/h2-8,10H,9H2,1H3,(H2,17,18,21)