(3-oxidanylidenebenzo[f]chromen-1-yl)methyl N'-prop-2-enylcarbamimidothioate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl N'-prop-2-enylcarbamimidothioate Openeye Name: 3-allyl-2-[(3-oxobenzo[f]chromen-1-yl)methyl]isothiourea CAS Name: N'-prop-2-enylcarbamimidothioic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl N'-prop-2-enylcarbamimidothioate Traditional Name: 3-allyl-2-[(3-ketobenzo[f]chromen-1-yl)methyl]isothiourea Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C(N)SCC1=CC(=O)OC2=C1C3=CC=CC=C3C=C2

Isomeric SMILES

C=CCN=C(N)SCC1=CC(=O)OC2=C1C3=CC=CC=C3C=C2

InChI

InChI=1S/C18H16N2O2S/c1-2-9-20-18(19)23-11-13-10-16(21)22-15-8-7-12-5-3-4-6-14(12)17(13)15/h2-8,10H,1,9,11H2,(H2,19,20)