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

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

Systemtic Name:(3-oxidanylidenebenzo[f]chromen-1-yl)methyl N'-butylcarbamimidothioate
Openeye Name:3-butyl-2-[(3-oxobenzo[f]chromen-1-yl)methyl]isothiourea
CAS Name:N'-butylcarbamimidothioic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester
IUPAC Name:(3-oxobenzo[f]chromen-1-yl)methyl N'-butylcarbamimidothioate
Traditional Name:3-butyl-2-[(3-ketobenzo[f]chromen-1-yl)methyl]isothiourea
Formula: C19H20N2O2S
MolecularWeight: 340.4393
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C19H20N2O2S/c1-2-3-10-21-19(20)24-12-14-11-17(22)23-16-9-8-13-6-4-5-7-15(13)18(14)16/h4-9,11H,2-3,10,12H2,1H3,(H2,20,21)


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