(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(3-methoxyphenyl)carbamimidothioate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NC3=CC(=CC=C3)OC)N

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NC3=CC(=CC=C3)OC)N

InChI

InChI=1S/C20H20N2O3S/c1-3-13-7-8-17-14(10-19(23)25-18(17)9-13)12-26-20(21)22-15-5-4-6-16(11-15)24-2/h4-11H,3,12H2,1-2H3,(H2,21,22)