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

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioate Openeye Name: 3-[(1R)-2-methoxy-1-methyl-ethyl]-2-[(3-oxobenzo[f]chromen-1-yl)methyl]isothiourea CAS Name: N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioate Traditional Name: 2-[(3-ketobenzo[f]chromen-1-yl)methyl]-3-[(1R)-2-methoxy-1-methyl-ethyl]isothiourea Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](COC)N=C(N)SCC1=CC(=O)OC2=C1C3=CC=CC=C3C=C2

InChI

InChI=1S/C19H20N2O3S/c1-12(10-23-2)21-19(20)25-11-14-9-17(22)24-16-8-7-13-5-3-4-6-15(13)18(14)16/h3-9,12H,10-11H2,1-2H3,(H2,20,21)/t12-/m1/s1