(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl N'-phenethylcarbamimidothioate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl N'-phenethylcarbamimidothioate Openeye Name: 2-[(7-methoxy-2-oxo-chromen-4-yl)methyl]-3-phenethyl-isothiourea CAS Name: N'-phenethylcarbamimidothioic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl N'-phenethylcarbamimidothioate Traditional Name: 2-[(2-keto-7-methoxy-chromen-4-yl)methyl]-3-phenethyl-isothiourea Formula: C20H20N2O3S MolecularWeight: 368.4494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NCCC3=CC=CC=C3)N

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NCCC3=CC=CC=C3)N

InChI

InChI=1S/C20H20N2O3S/c1-24-16-7-8-17-15(11-19(23)25-18(17)12-16)13-26-20(21)22-10-9-14-5-3-2-4-6-14/h2-8,11-12H,9-10,13H2,1H3,(H2,21,22)