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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl N'-(4-ethoxyphenyl)carbamimidothioate Openeye Name: 3-(4-ethoxyphenyl)-2-[(7-methoxy-2-oxo-chromen-4-yl)methyl]isothiourea CAS Name: N'-(4-ethoxyphenyl)carbamimidothioic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl N'-(4-ethoxyphenyl)carbamimidothioate Traditional Name: 2-[(2-keto-7-methoxy-chromen-4-yl)methyl]-3-p-phenetyl-isothiourea Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N=C(N)SCC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N=C(N)SCC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C20H20N2O4S/c1-3-25-15-6-4-14(5-7-15)22-20(21)27-12-13-10-19(23)26-18-11-16(24-2)8-9-17(13)18/h4-11H,3,12H2,1-2H3,(H2,21,22)