(3-oxidanylidenebenzo[f]chromen-1-yl)methyl N,N'-diethylcarbamimidothioate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl N,N'-diethylcarbamimidothioate Openeye Name: 1,3-diethyl-2-[(3-oxobenzo[f]chromen-1-yl)methyl]isothiourea CAS Name: N,N'-diethylcarbamimidothioic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl N,N'-diethylcarbamimidothioate Traditional Name: 1,3-diethyl-2-[(3-ketobenzo[f]chromen-1-yl)methyl]isothiourea Formula: C19H20N2O2S MolecularWeight: 340.4393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=NCC)SCC1=CC(=O)OC2=C1C3=CC=CC=C3C=C2

Isomeric SMILES

CCNC(=NCC)SCC1=CC(=O)OC2=C1C3=CC=CC=C3C=C2

InChI

InChI=1S/C19H20N2O2S/c1-3-20-19(21-4-2)24-12-14-11-17(22)23-16-10-9-13-7-5-6-8-15(13)18(14)16/h5-11H,3-4,12H2,1-2H3,(H,20,21)