(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(2,6-dimethylphenyl)carbamimidothioate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(2,6-dimethylphenyl)carbamimidothioate Openeye Name: 3-(2,6-dimethylphenyl)-2-[(7-ethyl-2-oxo-chromen-4-yl)methyl]isothiourea CAS Name: N'-(2,6-dimethylphenyl)carbamimidothioic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl N'-(2,6-dimethylphenyl)carbamimidothioate Traditional Name: 3-(2,6-dimethylphenyl)-2-[(7-ethyl-2-keto-chromen-4-yl)methyl]isothiourea Formula: C21H22N2O2S MolecularWeight: 366.47658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NC3=C(C=CC=C3C)C)N

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC(=NC3=C(C=CC=C3C)C)N

InChI

InChI=1S/C21H22N2O2S/c1-4-15-8-9-17-16(11-19(24)25-18(17)10-15)12-26-21(22)23-20-13(2)6-5-7-14(20)3/h5-11H,4,12H2,1-3H3,(H2,22,23)