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

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl N'-propylcarbamimidothioate Openeye Name: 2-[(3-oxobenzo[f]chromen-1-yl)methyl]-3-propyl-isothiourea CAS Name: N'-propylcarbamimidothioic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl N'-propylcarbamimidothioate Traditional Name: 2-[(3-ketobenzo[f]chromen-1-yl)methyl]-3-propyl-isothiourea Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O2S/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/h3-8,10H,2,9,11H2,1H3,(H2,19,20)