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

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl N'-cyclopentylcarbamimidothioate Openeye Name: 3-cyclopentyl-2-[(3-oxobenzo[f]chromen-1-yl)methyl]isothiourea CAS Name: N'-cyclopentylcarbamimidothioic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl N'-cyclopentylcarbamimidothioate Traditional Name: 3-cyclopentyl-2-[(3-ketobenzo[f]chromen-1-yl)methyl]isothiourea Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N=C(N)SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

C1CCC(C1)N=C(N)SCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C20H20N2O2S/c21-20(22-15-6-2-3-7-15)25-12-14-11-18(23)24-17-10-9-13-5-1-4-8-16(13)19(14)17/h1,4-5,8-11,15H,2-3,6-7,12H2,(H2,21,22)