(3-oxidanylidenebenzo[f]chromen-1-yl)methyl N'-(4-ethoxyphenyl)carbamimidothioate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl N'-(4-ethoxyphenyl)carbamimidothioate Openeye Name: 3-(4-ethoxyphenyl)-2-[(3-oxobenzo[f]chromen-1-yl)methyl]isothiourea CAS Name: N'-(4-ethoxyphenyl)carbamimidothioic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl N'-(4-ethoxyphenyl)carbamimidothioate Traditional Name: 2-[(3-ketobenzo[f]chromen-1-yl)methyl]-3-p-phenetyl-isothiourea Formula: C23H20N2O3S MolecularWeight: 404.4815

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N=C(N)SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)N=C(N)SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C23H20N2O3S/c1-2-27-18-10-8-17(9-11-18)25-23(24)29-14-16-13-21(26)28-20-12-7-15-5-3-4-6-19(15)22(16)20/h3-13H,2,14H2,1H3,(H2,24,25)