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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl N'-(4-ethoxyphenyl)carbamimidothioate Openeye Name: 3-(4-ethoxyphenyl)-2-[(7-ethyl-2-oxo-chromen-4-yl)methyl]isothiourea CAS Name: N'-(4-ethoxyphenyl)carbamimidothioic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl N'-(4-ethoxyphenyl)carbamimidothioate Traditional Name: 2-[(7-ethyl-2-keto-chromen-4-yl)methyl]-3-p-phenetyl-isothiourea Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-3-14-5-10-18-15(12-20(24)26-19(18)11-14)13-27-21(22)23-16-6-8-17(9-7-16)25-4-2/h5-12H,3-4,13H2,1-2H3,(H2,22,23)