(3-oxidanylidenebenzo[f]chromen-1-yl)methyl N'-phenylcarbamimidothioate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl N'-phenylcarbamimidothioate Openeye Name: 2-[(3-oxobenzo[f]chromen-1-yl)methyl]-3-phenyl-isothiourea CAS Name: N'-phenylcarbamimidothioic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl N'-phenylcarbamimidothioate Traditional Name: 2-[(3-ketobenzo[f]chromen-1-yl)methyl]-3-phenyl-isothiourea Formula: C21H16N2O2S MolecularWeight: 360.42894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N2O2S/c22-21(23-16-7-2-1-3-8-16)26-13-15-12-19(24)25-18-11-10-14-6-4-5-9-17(14)20(15)18/h1-12H,13H2,(H2,22,23)