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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O2S/c1-3-12(2)21-19(20)24-11-14-10-17(22)23-16-9-8-13-6-4-5-7-15(13)18(14)16/h4-10,12H,3,11H2,1-2H3,(H2,20,21)/t12-/m0/s1