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

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl N'-(3-methylbutyl)carbamimidothioate Openeye Name: 3-isopentyl-2-[(3-oxobenzo[f]chromen-1-yl)methyl]isothiourea CAS Name: N'-(3-methylbutyl)carbamimidothioic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl N'-(3-methylbutyl)carbamimidothioate Traditional Name: 3-isoamyl-2-[(3-ketobenzo[f]chromen-1-yl)methyl]isothiourea Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O2S/c1-13(2)9-10-22-20(21)25-12-15-11-18(23)24-17-8-7-14-5-3-4-6-16(14)19(15)17/h3-8,11,13H,9-10,12H2,1-2H3,(H2,21,22)