(3-oxidanylidenebenzo[f]chromen-1-yl)methyl N'-(2-methylpropyl)carbamimidothioate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl N'-(2-methylpropyl)carbamimidothioate Openeye Name: 3-isobutyl-2-[(3-oxobenzo[f]chromen-1-yl)methyl]isothiourea CAS Name: N'-(2-methylpropyl)carbamimidothioic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl N'-(2-methylpropyl)carbamimidothioate Traditional Name: 3-isobutyl-2-[(3-ketobenzo[f]chromen-1-yl)methyl]isothiourea Formula: C19H20N2O2S MolecularWeight: 340.4393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O2S/c1-12(2)10-21-19(20)24-11-14-9-17(22)23-16-8-7-13-5-3-4-6-15(13)18(14)16/h3-9,12H,10-11H2,1-2H3,(H2,20,21)