(3-oxidanylidenebenzo[f]chromen-1-yl)methyl N'-[(2-methoxyphenyl)methyl]carbamimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN=C(N)SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

COC1=CC=CC=C1CN=C(N)SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C23H20N2O3S/c1-27-19-9-5-3-7-16(19)13-25-23(24)29-14-17-12-21(26)28-20-11-10-15-6-2-4-8-18(15)22(17)20/h2-12H,13-14H2,1H3,(H2,24,25)